466	466	863	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)	108.4390	0.000	1	108.4390	0.000	1	110.7607	4.190	3	110.7607	4.190	3	110.7607	4.190	3	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:1:1:	4:4:3:4:	4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)	111.9215	0.544	2	111.9215	0.296	2	110.7607	4.190	3	110.7607	4.190	3	110.7607	4.190	3	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:3:3:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]N[6])	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.3895	0.019	2	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.3895	0.019	2	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)	105.2430	0.000	1	105.2430	0.000	1	105.2430	0.000	1	105.2430	0.000	1	105.4335	0.073	2	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)	105.6240	0.000	1	105.6240	0.000	1	105.6240	0.000	1	105.6240	0.000	1	105.4335	0.073	2	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	111.4625	0.428	4	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)	110.9360	0.000	2	110.9360	0.000	2	110.9360	0.000	2	110.9360	0.000	2	111.4625	0.428	4	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){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]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	111.4625	0.428	4	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)	109.0430	0.569	2	109.0430	0.323	2	109.0430	0.323	2	113.9590	72.663	3	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)	123.7910	0.000	1	123.7910	0.000	1	123.7910	0.000	1	113.9590	72.663	3	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:4:3:1:	4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	O(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6]H)	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:1:1:	4:4:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6a]C[6]2)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)	104.5500	0.000	1	104.5500	0.000	1	104.5500	0.000	1	104.5500	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	107.6485	24.732	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:4:1:	4:4:1:1:	4:	C[6]-4:O[6]-2:C-4:O-1:	N[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	O(C[6]C[6]O[6]C)	104.1320	0.000	1	104.1320	0.000	1	104.1320	0.000	1	107.6485	24.732	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HO)2(Br)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.2720	0.084	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.2720	0.084	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:C-4:O-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)	108.9260	3.203	2	108.9260	10.260	2	108.9260	10.260	2	108.9260	10.260	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	109.1805	0.985	12	109.3116	1.113	13	108.9399	2.401	17	108.9399	2.401	17	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	110.8850	0.000	1	109.3116	1.113	13	108.9399	2.401	17	108.9399	2.401	17	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	107.5970	2.934	3	107.5970	8.606	3	108.9399	2.401	17	108.9399	2.401	17	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	108.1370	0.000	1	108.1370	0.000	1	108.9399	2.401	17	108.9399	2.401	17	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	111.2460	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	O(C[6]C[4,6]C[6]H)	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)	107.3000	0.000	2	107.3000	0.000	2	107.3000	0.000	2	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	O(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)	108.8605	0.036	2	108.8605	0.001	2	108.8605	0.001	2	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)	110.5700	0.704	2	110.5700	0.496	2	110.5700	0.496	2	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	111.2905	0.595	2	110.1485	2.176	4	109.8598	1.682	6	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)	109.0065	0.979	2	110.1485	2.176	4	109.8598	1.682	6	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)	109.9470	0.000	1	109.9470	0.000	1	109.8598	1.682	6	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)	108.6180	0.000	1	108.6180	0.000	1	109.8598	1.682	6	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)	111.2129	1.263	13	111.2129	1.596	13	110.7757	2.148	26	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)	110.3385	1.570	13	110.3385	2.464	13	110.7757	2.148	26	110.4085	2.376	43	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)	110.2903	0.644	4	110.2903	0.415	4	109.3144	2.371	19	109.3144	2.371	19	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)	108.9234	1.437	12	108.9234	2.066	12	109.3144	2.371	19	109.3144	2.371	19	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)	109.1080	0.000	1	110.7110	5.139	2	109.3144	2.371	19	109.3144	2.371	19	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)	112.3140	0.000	1	110.7110	5.139	2	109.3144	2.371	19	109.3144	2.371	19	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)	107.3100	0.000	1	107.3100	0.000	1	109.3144	2.371	19	109.3144	2.371	19	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)	111.4865	0.981	2	111.4865	0.962	2	111.4865	0.962	2	111.4865	0.962	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)	109.3080	0.000	1	109.4205	0.025	2	109.4205	0.025	2	109.4205	0.025	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	109.5330	0.000	1	109.4205	0.025	2	109.4205	0.025	2	109.4205	0.025	2	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	O(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2O)	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5]C[6]O[6])	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	O(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2O)	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]C)	106.8030	0.000	1	106.8030	0.000	1	106.8030	0.000	1	109.3331	2.840	7	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(CF3)(O)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	O(C[6]C[6]2C)	C[6](C[6]C[6]FF)2(CF3)(O){1|C<4>,4|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	O(C[6]C[6]2C)	110.6280	0.359	4	110.6280	0.129	4	110.6280	0.129	4	109.3331	2.840	7	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)	108.1380	0.000	1	108.1380	0.000	1	108.0085	0.034	2	109.3331	2.840	7	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)	107.8790	0.000	1	107.8790	0.000	1	108.0085	0.034	2	109.3331	2.840	7	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	O(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	863	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]C)	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	109.7492	6.118	113	109.7213	6.164	124
466	466	874	0:SP3_SP3_SP3	C[3x6]	C[6]	B[3x6]	4:4:4:4:	4:4:1:1:	4:4:4:3:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	113.0285	1.010	2	113.0285	1.021	2	113.0285	1.021	2	113.0285	1.021	2	113.0285	1.021	2	111.6630	2.044	6
466	466	874	0:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	111.6860	0.000	1	111.6860	0.000	1	111.7970	0.025	2	111.7970	0.025	2	110.9802	1.201	4	111.6630	2.044	6
466	466	874	0:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6]	4:4:4:1:	4:4:1:1:	4:2:3:1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	111.9080	0.000	1	111.9080	0.000	1	111.7970	0.025	2	111.7970	0.025	2	110.9802	1.201	4	111.6630	2.044	6
466	466	874	0:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	109.4890	0.000	1	109.4890	0.000	1	110.1635	0.910	2	110.1635	0.910	2	110.9802	1.201	4	111.6630	2.044	6
466	466	874	0:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6]	4:4:4:1:	4:4:4:1:	4:2:3:1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	110.8380	0.000	1	110.8380	0.000	1	110.1635	0.910	2	110.1635	0.910	2	110.9802	1.201	4	111.6630	2.044	6
466	466	874	6:SP3_SP3_SP3	C[3x6]	C[3x6]	B[3x6]	4:4:4:4:	4:4:4:1:	4:4:4:3:	B[3x6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[3x6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)2{12|H<1>,2|C<3>,3|C<4>}	C[3x6](C[3x6]B[3x6]C[6]2)(C[6,6]C[3x6]HH)2(H){1|N<3>,5|C<4>,6|H<1>}	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	107.8070	0.124	2	107.8070	0.015	2	107.8070	0.015	2	106.7193	0.644	10	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<3>,2|H<1>,3|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	107.3110	0.085	2	107.3110	0.007	2	107.3110	0.007	2	106.7193	0.644	10	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:3:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-3:	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|O<3>,2|H<1>,3|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2){5|C<4>,7|H<1>}	106.1595	0.407	6	106.1595	0.165	6	106.1595	0.165	6	106.7193	0.644	10	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|H<1>,1|N<4>,4|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	107.6637	0.554	4	107.6637	0.307	4	107.6637	0.307	4	107.7436	0.165	7	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3x6]-4:	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H)	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(H){1|N<4>,2|H<1>,3|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3){6|C<4>,9|H<1>}	107.8500	0.073	3	107.8500	0.005	3	107.8500	0.005	3	107.7436	0.165	7	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[3x6]	B[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3)	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,2|H<1>,3|C<4>}	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	107.9900	0.112	2	107.9900	0.012	2	107.9900	0.012	2	107.9900	0.012	2	107.2304	0.689	19	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[3x6]	4:4:1:1:	4:4:1:1:	3:3:4:3:	B[3x6]-4:C[6,6]-4:H-1:H-1:	B[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	110.5740	0.245	2	110.5740	0.060	2	110.5740	0.060	2	110.5740	0.060	2	109.4813	3.612	3	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[3x6]	4:4:2:1:	4:4:2:1:	4:3:3:3:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	109.4813	3.612	3	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	109.3660	4.318	4	109.3660	18.644	4	109.3660	18.644	4	109.1909	13.569	8	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	109.0157	3.597	4	109.0157	12.936	4	109.0157	12.936	4	109.1909	13.569	8	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	110.0533	4.127	16	110.0254	17.171	20	110.0784	16.629	24	110.0985	15.883	28	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	109.9137	4.855	4	110.0254	17.171	20	110.0784	16.629	24	110.0985	15.883	28	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	110.3432	4.316	4	110.3432	18.628	4	110.0784	16.629	24	110.0985	15.883	28	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	110.2195	3.929	4	110.2195	15.436	4	110.2195	15.436	4	110.0985	15.883	28	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:2:3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	109.1774	1.563	8	109.1774	2.444	8	109.1774	2.444	8	109.1774	2.444	8	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	109.6137	3.360	8	109.4048	8.924	16	109.4048	8.924	16	109.4048	8.924	16	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	109.1959	2.780	8	109.4048	8.924	16	109.4048	8.924	16	109.4048	8.924	16	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6]-3:S[6]-3:	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2{12|H<1>,1|B<4>,2|C<4>}	108.9315	0.228	2	108.9315	0.052	2	108.9315	0.052	2	108.9315	0.052	2	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	109.0902	2.266	4	109.0902	5.136	4	109.0902	5.136	4	109.0902	5.136	4	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	110.4010	0.386	2	110.4010	0.149	2	110.4010	0.149	2	110.4010	0.149	2	109.6354	10.505	68	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:3:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	B[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	109.2732	0.371	4	109.2732	0.137	4	109.2732	0.137	4	109.2732	0.137	4	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	108.5176	0.661	16	108.5176	0.437	16	108.5740	0.316	28	108.5740	0.316	28	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(ON)2	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(ON)2{2|C<4>,8|H<1>}	108.6492	0.411	12	108.6492	0.169	12	108.5740	0.316	28	108.5740	0.316	28	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	109.7218	2.718	4	109.7218	7.385	4	109.7385	8.242	52	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	109.6502	2.700	8	109.6502	7.289	8	109.7385	8.242	52	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	109.7716	3.026	32	109.7579	8.900	40	109.7385	8.242	52	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	109.9352	3.221	4	109.7579	8.900	40	109.7385	8.242	52	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	109.4707	3.244	4	109.7579	8.900	40	109.7385	8.242	52	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	108.9925	2.303	4	108.9925	5.304	4	108.9925	5.304	4	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	110.2708	5.026	4	110.2708	25.257	4	110.2708	25.257	4	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	108.9935	2.292	4	108.9935	5.255	4	108.9935	5.255	4	109.6786	8.463	64	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	109.3342	1.262	4	109.3342	1.592	4	109.3342	1.592	4	109.3342	1.592	4	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2{4|C<3>,6|C<4>,8|H<1>}	110.5275	2.993	4	110.5275	8.959	4	110.5275	8.959	4	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	108.2310	0.000	1	109.1532	0.738	16	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{10|H<1>,2|C<3>,2|C<4>,2|N<3>,2|S<2>}	109.1440	0.332	2	109.1532	0.738	16	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	109.2256	0.914	13	109.1532	0.738	16	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	110.0215	2.007	2	109.6497	1.041	22	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Cu<4>,2|C<4>,4|C<3>}	109.4917	0.771	4	109.6497	1.041	22	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	109.5324	1.265	8	109.6497	1.041	22	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<5>,2|C<4>,4|C<3>}	109.7530	0.781	8	109.6497	1.041	22	109.4407	0.951	38	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:O-3:	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH){2|C<3>,2|C<4>,9|H<1>}	109.7682	1.511	4	109.7682	2.284	4	109.7682	2.284	4	109.5637	1.631	46	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	110.4011	2.861	8	110.4011	8.187	8	110.0406	6.154	12	109.8007	7.722	20	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	109.3195	1.557	4	109.3195	2.423	4	110.0406	6.154	12	109.8007	7.722	20	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH){2|C<4>,8|H<1>}	109.4523	3.470	4	109.4523	12.038	4	109.4409	11.042	8	109.8007	7.722	20	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH){2|C<4>,8|H<1>}	109.4295	3.705	4	109.4295	13.727	4	109.4409	11.042	8	109.8007	7.722	20	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H){10|H<1>,4|C<4>}	109.0373	3.352	8	109.0373	11.239	8	109.0373	11.239	8	109.0492	8.901	12	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:P-4:H-1:	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	109.0733	2.532	4	109.0733	6.410	4	109.0733	6.410	4	109.0492	8.901	12	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	108.9889	1.161	12	108.9889	1.348	12	108.9889	1.348	12	109.0563	1.361	16	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	109.2583	1.338	4	109.2583	1.789	4	109.2583	1.789	4	109.0563	1.361	16	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC){2|C<4>,8|H<1>}	109.7943	0.469	4	109.7943	0.220	4	109.7569	0.153	8	109.7569	0.153	8	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC){2|C<4>,8|H<1>}	109.7195	0.364	4	109.7195	0.133	4	109.7569	0.153	8	109.7569	0.153	8	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	109.7287	1.279	12	109.7287	1.635	12	109.6190	3.923	56	109.6667	3.541	68	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	109.6119	2.118	40	109.6119	4.486	40	109.6190	3.923	56	109.6667	3.541	68	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	109.3605	2.735	4	109.3605	7.478	4	109.6190	3.923	56	109.6667	3.541	68	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-4:C-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH){2|C<4>,8|H<1>}	109.8897	1.373	12	109.8897	1.884	12	109.8897	1.884	12	109.6667	3.541	68	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6]	4:4:4:2:	4:4:1:1:	4:4:3:3:	B[6,6]-4:C[6]-4:C[6]-4:H-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(HNi){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	109.4335	0.059	2	109.4335	0.003	2	109.4335	0.003	2	109.4335	0.003	2	109.4730	4.268	273	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[3x6]	B[6]	4:4:1:1:	4:4:4:4:	4:4:3:3:	C[3x6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH)	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]CH){1|P<4>,3|C<3>,3|C<4>,4|H<1>}	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6,6]	4:4:1:1:	4:4:3:4:	4:4:2:2:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	112.8045	0.691	2	112.8045	0.477	2	112.8045	0.477	2	112.8045	0.477	2	113.6472	2.031	4	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6,6]	4:4:1:1:	4:4:4:1:	4:4:2:2:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H)	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>}	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	114.4900	1.666	2	114.4900	2.775	2	114.4900	2.775	2	114.4900	2.775	2	113.6472	2.031	4	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6]	4:4:1:1:	4:3:4:1:	4:3:3:2:	C[6,6]-4:B[6]-4:H-1:H-1:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	111.7095	3.763	8	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6]	4:4:1:1:	4:4:4:1:	4:3:3:2:	C[6,6]-4:B[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|P<4>,2|H<1>,2|O<2>,4|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	111.7095	3.763	8	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6]	4:4:1:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H)	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,4|C<4>}	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	111.4730	0.314	4	111.4730	0.098	4	111.4730	0.098	4	111.4730	0.098	4	111.7095	3.763	8	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6]	4:4:1:1:	4:4:4:4:	4:3:3:3:	B[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	C[6,6](C[6]B[6]HH)(C[6]C[6]HH)3{1|C<4>,1|P<4>,5|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	111.7095	3.763	8	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6,6]	B[6]	4:4:1:1:	4:4:4:4:	4:4:3:3:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3){3|C<3>,3|C<4>}	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	111.7095	3.763	8	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6,6]	4:4:1:1:	4:4:1:1:	4:4:2:2:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	3:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2{2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:3:3:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	117.5470	0.434	2	117.5470	0.188	2	117.3982	0.690	4	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	117.2495	1.339	2	117.2495	1.792	2	117.3982	0.690	4	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	113.6970	0.133	2	113.6970	0.018	2	113.7793	0.029	3	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	113.9440	0.000	1	113.9440	0.000	1	113.7793	0.029	3	115.7146	9.688	9	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:3:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	110.7370	0.000	1	110.7370	0.000	1	110.3180	0.351	2	110.3180	0.351	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:3:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	109.8990	0.000	1	109.8990	0.000	1	110.3180	0.351	2	110.3180	0.351	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	114.4938	5.145	6	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	111.7290	0.000	1	111.7290	0.000	1	114.6144	6.322	5	114.4938	5.145	6	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|P<4>,4|C<3>,4|F<1>,4|H<1>}	115.3357	2.227	4	115.3357	4.960	4	114.6144	6.322	5	114.4938	5.145	6	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	113.2476	5.389	7	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>,4|F<1>}	112.0240	0.170	2	112.0240	0.029	2	111.7095	0.141	4	113.2476	5.389	7	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH){1|F<2>,3|C<4>,3|F<1>,3|H<1>,4|C<3>}	111.3950	0.000	2	111.3950	0.000	2	111.7095	0.141	4	113.2476	5.389	7	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	113.2476	5.389	7	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	113.2476	5.389	7	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	112.2480	0.000	1	112.2480	0.000	1	112.0550	0.074	2	112.0550	0.074	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	111.8620	0.000	1	111.8620	0.000	1	112.0550	0.074	2	112.0550	0.074	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:1:1:	4:4:2:2:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O-2:O-2:	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	112.3730	0.684	2	112.3730	0.469	2	112.3730	0.469	2	112.3730	0.469	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:2:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:3:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|O<2>,2|C<3>,2|C<4>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	108.7120	1.307	2	108.7120	1.708	2	108.7120	1.708	2	110.3420	8.824	3	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:2:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	110.3420	8.824	3	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:3:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC[6a]3)(H){2|H<1>,3|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	109.4450	5.986	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:3:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	109.4450	5.986	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	113.4110	0.000	1	113.4110	0.000	1	113.3145	0.019	2	113.3145	0.019	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	3:3:4:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H)	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]HH)(PC3)(H){1|C<4>,2|C<3>,2|H<1>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	113.2180	0.000	1	113.2180	0.000	1	113.3145	0.019	2	113.3145	0.019	2	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:1:1:	4:4:4:1:	4:3:3:4:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H)	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]B[6]HH)(PC[6a]3)(H){2|C<4>,2|H<1>,3|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	114.6450	0.000	1	113.4125	8.314	44	109.9075	7.639	422
466	466	874	6:SP3_SP3_SP3	C[6]	C[6]	B[6]	4:4:4:1:	4:3:1:1:	4:4:3:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	114.1570	3.159	2	114.1570	9.982	2	114.1570	9.982	2	114.1570	9.982	2	113.4125	8.314	44	109.9075	7.639	422
466	466	876	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:2:2:1:	4:2:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	H(C[6]C[6]2H)(CH)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)(CH)	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.0620	0.066	2	110.0620	0.066	2
466	466	876	0:SP3_SP-NON_SP3	C[6]	C[6]	H	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H)	H(C[6]C[6]2H)(CH)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NPdHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)(CH)	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	110.0620	0.066	2	110.0620	0.066	2
466	466	878	0:SP3_SP-NON_SP3	C[6]	C[6]	Ga[4]	4:4:4:4:	3:4:1:1:	4:2:2:1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1
466	466	880	0:SP3_SP3_SP3	C[6,6]	C[6,6]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	Si(C[6,6]C[6,6]C[6]2)(CH3)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	Si(C[6,6]C[6,6]C[6]2)(CH3)3	111.2030	0.000	1	110.7673	0.731	3	110.7673	0.731	3	110.7673	0.731	3	110.7673	0.731	3	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6,6]	C[6,6]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	Si(C[6,6]C[6,6]C[6]2)(CH3)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	Si(C[6,6]C[6,6]C[6]2)(CH3)3	110.5495	1.085	2	110.7673	0.731	3	110.7673	0.731	3	110.7673	0.731	3	110.7673	0.731	3	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6,6]	C[6]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6]-4:C[6]-3:Si-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3)	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2	Si(C[6,6]C[6,6]C[6]2)(CH3)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	Si(C[6,6]C[6,6]C[6]2)(CH3)3	111.0170	2.227	3	111.0170	4.959	3	111.0170	4.959	3	111.0170	4.959	3	110.2208	14.990	5	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6,6]	C[6]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:C-4:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	Si(C[6,6]N[6,6]C[6]2)(CH3)3	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	Si(C[6,6]N[6,6]C[6]2)(CH3)3	109.0265	6.730	2	109.0265	45.287	2	109.0265	45.287	2	109.0265	45.287	2	110.2208	14.990	5	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6,6]	Si	4:3:4:1:	3:3:4:4:	4:4:4:4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	Si(C[6]C[6,6]C[6]H)(CH3)3	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	121.1933	39.820	3	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6,6]	Si	4:3:4:1:	3:4:4:4:	4:4:4:4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	Si(C[6]C[6,6]C[6]H)(CH3)3	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	128.0190	0.000	1	128.0190	0.000	1	128.0190	0.000	1	128.0190	0.000	1	121.1933	39.820	3	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6,6]	Si	4:4:4:1:	3:3:4:4:	4:4:4:4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	Si(C[6]C[6,6]C[6]H)(CH3)3	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	121.1933	39.820	3	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:1:	3:4:1:1:	4:4:4:4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	Si(C[6]C[5,6]C[6]H)(CH3)3	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.5150	0.103	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:1:	3:4:1:1:	4:4:4:4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	Si(C[6]C[5,6]C[6]H)(CH3)3	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	113.5150	0.103	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	Si(C[6]Si[6]C[6]Si)(CH3)3	107.8345	3.434	4	107.7132	10.392	6	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	Si(C[6]Si[6]C[6]Si)(CH3)3	107.4705	4.050	2	107.7132	10.392	6	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{2|Si<3>,2|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	105.9375	3.266	4	105.9375	10.669	4	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	107.4835	4.276	2	107.0554	8.712	15	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<2>,3|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	107.7605	3.492	2	107.0554	8.712	15	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	105.5943	3.439	3	107.0554	8.712	15	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	107.3200	2.916	8	107.0554	8.712	15	107.0344	8.896	25	107.0344	8.896	25	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:2:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:Si[6]-2:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	Si(C[6]Si[6]C[6]Si)(CH3)3	108.0580	3.705	2	108.0580	13.729	2	108.0580	13.729	2	108.0580	13.729	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	Si(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Si(C[6]C[6]2H)(CH3)3	113.1800	0.000	1	113.1800	0.000	1	113.1800	0.000	1	113.1800	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2C)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	Si(C[6]C[6]2C)(CH3)3	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:3:1:	4:4:1:1:	3:3:4:3:	Si-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6a]C[6a]2)2(C[6]C[6]2H)(C[6]C[6]2)	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	Si(C[6a]C[6a]2)2(C[6]C[6]2H)(C[6]C[6]2)	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:3:1:	4:4:1:1:	3:4:4:4:	C[6]-4:Si-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	115.9530	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:3:4:	4:3:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	Si(C[6]Si[6]C[6]N)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	Si(C[6]Si[6]C[6]N)(CH3)3	106.5015	0.911	2	106.5015	0.831	2	106.5015	0.831	2	106.5015	0.831	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:Si-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	Si(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)2(H)	107.6965	0.121	2	107.6965	0.015	2	107.6965	0.015	2	111.9437	24.190	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:Si-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	Si(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	Si(C[6]C[6]2H)(CCHH)2(H)	116.1910	0.632	2	116.1910	0.400	2	116.1910	0.400	2	111.9437	24.190	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	110.2900	0.000	1	110.2900	0.000	1	111.3075	2.071	2	111.3075	2.071	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	112.3250	0.000	1	112.3250	0.000	1	111.3075	2.071	2	111.3075	2.071	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:3:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2{5|C<4>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	112.0212	5.953	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	108.4940	0.000	1	108.4940	0.000	1	111.6880	8.263	3	112.0212	5.953	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	114.0670	0.000	1	114.0670	0.000	1	111.6880	8.263	3	112.0212	5.953	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	112.5030	0.000	1	112.5030	0.000	1	111.6880	8.263	3	112.0212	5.953	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:1:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	Si(C[6]Si[6]C[6]H)(Cl)3	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	Si(C[6]Si[6]C[6]H)(Cl)3	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:Cl-1:	C[6](C[6]C[6]HH)2(SiClOO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(OC)2(Cl)	C[6](C[6]C[6]HH)2(SiClOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OC)2(Cl)	117.6610	1.198	2	117.6610	1.435	2	117.6610	1.435	2	117.6610	1.435	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-2:	C[6](C[6]C[6]HH)2(SiO3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(OSb)3	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OSb)3	113.1270	0.259	2	113.1270	0.067	2	112.4602	2.114	31	112.4602	2.114	31	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-2:	C[6](C[6]C[6]HH)2(SiO3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(OSi)3	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OSi)3	112.4142	1.493	29	112.4142	2.229	29	112.4602	2.114	31	112.4602	2.114	31	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:3:2:2:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-3:O-2:O-2:	C[6](C[6]C[6]HH)2(SiO3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(OOs2)(OSi)2	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OOs2)(OSi)2	115.0760	1.595	2	115.0760	2.545	2	115.0760	2.545	2	115.0760	2.545	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)2(SiC[6]2C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)(C[6]C[6]2)2(CH3)	C[6](C[6]C[6]HH)2(SiC[6]2C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(C[6]C[6]2)2(CH3)	111.3295	1.598	8	111.3295	2.554	8	111.3295	2.554	8	111.3295	2.554	8	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	116.0570	0.000	2	116.0570	0.000	2	112.6850	15.206	4	112.6850	15.206	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	109.3130	0.369	2	109.3130	0.136	2	112.6850	15.206	4	112.6850	15.206	4	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:4:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:Cl-1:	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	Si(C[6]C[6]2H)3(Cl)	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si(C[6]C[6]2H)3(Cl)	114.8053	1.206	3	114.8053	1.455	3	114.8053	1.455	3	114.8053	1.455	3	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	Si(C[6]C[6]2H)(CC3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	Si(C[6]C[6]2H)(CC3)2(OH)	116.6070	0.000	1	116.6070	0.000	1	116.6070	0.000	1	116.6070	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Si(C[6]C[5,6]C[6]H)(CH3)3	114.3790	0.000	3	114.1550	0.094	5	114.1550	0.094	5	114.1550	0.094	5	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	Si(C[6]C[5,6]C[6]H)(CH3)3	113.8190	0.000	2	114.1550	0.094	5	114.1550	0.094	5	114.1550	0.094	5	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	Si(C[6]C[6,6]C[6]H)(CH3)3	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:3:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]SiH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	118.6580	9.176	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:3:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	118.6580	9.176	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	Si(C[6]C[6]2H)(CC3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(CC3)2(OH)	116.0980	0.000	1	116.0980	0.000	1	116.0980	0.000	1	116.0980	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:1:	4:4:4:4:	3:4:4:4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:4:	3:4:1:1:	4:4:4:4:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	115.6130	0.000	1	115.6130	0.000	1	115.6130	0.000	1	111.1515	39.810	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:4:	3:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	Si(C[6]Si[6]C[6]C)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	Si(C[6]Si[6]C[6]C)(CH3)3	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	111.1515	39.810	2	111.3410	14.172	118	111.5133	16.358	129
466	466	880	0:SP3_SP3_SP3	C[6]	C[6]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Pd<3>,3|Si<4>,1|C<3>}	Si(C[6]Si[6]C[6]Si)(CH3)3	108.0050	2.701	4	108.0050	7.296	4	108.0050	7.296	4	108.0050	7.296	4	111.3410	14.172	118	111.5133	16.358	129
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){6|H<1>,7|C<4>}	109.9114	1.434	9	109.9655	1.643	13	109.9655	1.643	13	109.9655	1.643	13	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){1|Cl<1>,6|H<1>,7|C<4>}	109.4420	1.223	2	109.9655	1.643	13	109.9655	1.643	13	109.9655	1.643	13	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){1|Cr<6>,6|H<1>,7|C<4>}	110.7325	0.155	2	109.9655	1.643	13	109.9655	1.643	13	109.9655	1.643	13	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:P[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4]Cl)(P[4]C[6]P[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cl)(P[4]C[6]P[4])(C[6]C[6]2H){6|H<1>,7|C<4>}	108.6603	2.259	4	108.6603	5.102	4	108.7005	2.501	8	108.7005	2.501	8	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:P[4]-3:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4]Cr)(P[4]C[6]P[4])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cr<6>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cr)(P[4]C[6]P[4])(C[6]C[6]2H){6|H<1>,7|C<4>}	108.7408	0.854	4	108.7408	0.729	4	108.7005	2.501	8	108.7005	2.501	8	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:P[4]-4:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4]C)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	P[4](P[4]C[6]P[4]C)2(C[6]C[6]2H){6|H<1>,7|C<4>}	107.6660	0.772	4	107.6660	0.597	4	107.4406	0.458	8	107.4406	0.458	8	108.9200	2.590	29	108.9200	2.590	29
466	466	882	0:SP3_SP3_SP3	C[6]	C[6]	P[4]	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:P[4]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:P[4]-4:C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	P[4](P[4]C[6]P[4]Cl)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){2|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cl)2(C[6]C[6]2H){6|H<1>,7|C<4>}	107.2152	0.580	4	107.2152	0.336	4	107.4406	0.458	8	107.4406	0.458	8	108.9200	2.590	29	108.9200	2.590	29
466	466	887	0:SP3_SP3_SP3	C[3x6]	C[6,6]	S	4:4:4:3:	4:4:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:O-1:	C[3x6](C[6,6]C[3x6]HH)3(SNO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	S(C[3x6]C[6,6]3)(NC[6a]H)(O)	C[3x6](C[6,6]C[3x6]HH)3(SNO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	S(C[3x6]C[6,6]3)(NC[6a]H)(O)	109.2083	3.769	3	109.2083	14.205	3	109.2083	14.205	3	109.2083	14.205	3	108.9545	27.375	12	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[3x6]	C[6,6]	S	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	108.4985	6.021	6	108.4985	36.250	6	108.4985	36.250	6	108.8699	34.057	9	108.9545	27.375	12	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[3x6]	C[6,6]	S	4:4:4:3:	4:4:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:S-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	C[3x6](C[6,6]C[3x6]HH)3(SC[6]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	109.6127	6.660	3	109.6127	44.360	3	109.6127	44.360	3	108.8699	34.057	9	108.9545	27.375	12	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	3:4:3:1:	4:4:1:1:	4:4:1:	N[5,6]-3:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	S(C[6]N[5,6]C[6]H)(CH3)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	S(C[6]N[5,6]C[6]H)(CH3)(O)	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:2:3:1:	4:4:2:1:	4:4:1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	105.6345	1.309	2	105.6345	1.713	2	105.6345	1.713	2	107.4742	9.194	4	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:2:3:1:	4:4:2:1:	4:4:1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	S(C[6]C[6]O[6]H)(CCHH)(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(CCHH)(O)	109.3140	3.511	2	109.3140	12.331	2	109.3140	12.331	2	107.4742	9.194	4	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:3:1:	4:3:4:1:	3:4:1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	107.6495	0.957	2	107.6495	0.915	2	107.6495	0.915	2	107.6495	0.915	2	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:3:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(SC[5a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(SC[5a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)	109.6120	2.418	18	109.6120	5.849	18	109.6120	5.849	18	109.7587	5.933	19	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:1:1:	3:4:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	109.7587	5.933	19	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:1:1:	4:2:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(SOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	S(C[6]C[6]2H)(OC[5])(O)	C[6](C[6]C[6]HH)2(SOO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	S(C[6]C[6]2H)(OC[5])(O)	112.0200	2.093	2	112.0200	4.381	2	112.0200	4.381	2	112.0200	4.381	2	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:2:1:	3:4:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:4:2:	3:4:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:1:	4:4:4:4:	3:4:1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:3:	4:4:1:1:	4:4:1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2	S(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CS)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S(C[6]C[6]2C)(CH3)(O)	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	887	0:SP3_SP3_SP3	C[6]	C[6]	S	4:4:3:3:	4:4:2:1:	4:4:1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	S(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	S(C[6]C[6]2C)(CH3)(O)	106.4310	0.000	1	106.4310	0.000	1	106.4310	0.000	1	106.4310	0.000	1	109.8386	7.683	34	109.6080	12.480	46
466	466	890	0:SP3_SP3_SP3	C[6]	C[6]	As	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:As-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:Cl-1:	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H)	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	As(C[6]C[6]2H)3(Cl)	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	As(C[6]C[6]2H)3(Cl)	112.3518	3.861	6	112.3518	14.908	6	112.3518	14.908	6	112.3518	14.908	6	112.3518	14.908	6	112.3518	14.908	6
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(H)3	109.0005	0.332	6	109.0005	0.110	6	108.9471	0.307	89	108.9471	0.307	89	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NH3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(H)3	108.4717	0.263	3	108.9281	0.321	81	108.9471	0.307	89	108.9471	0.307	89	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NH3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(H)3	108.5282	0.202	4	108.9281	0.321	81	108.9471	0.307	89	108.9471	0.307	89	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NH3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(NH3){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(H)3	108.9683	0.574	74	108.9281	0.321	81	108.9471	0.307	89	108.9471	0.307	89	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NH3)	C[6,6](C[3x6]C[6,6]2N)2(H)2	N(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(NH3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(H)3	109.5540	0.028	2	109.5540	0.001	2	108.9471	0.307	89	108.9471	0.307	89	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NB[3x6]HH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NB[3x6]HH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(B[3x6]C[6,6]3)(C[3x6]C[6,6]3)(H)2	109.6668	1.272	5	109.6668	1.618	5	109.6668	1.618	5	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:B-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NBHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NBHH){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(BCHH)(H)2	109.0035	2.515	2	109.0035	6.326	2	109.2577	3.357	3	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:B-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NBHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(BCHH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NBHH){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(BCHH)(H)2	109.7660	0.000	1	109.7660	0.000	1	109.2577	3.357	3	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CCHH)(H)2	108.8370	2.308	6	108.8370	5.327	6	109.0358	3.064	36	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	109.0934	1.607	21	109.0934	2.583	21	109.0358	3.064	36	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(NCHH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(NCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CH3)(H)2	109.0339	1.892	9	109.0339	3.578	9	109.0358	3.064	36	109.1226	2.842	44	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CH3)3	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CH3)3	109.7758	0.369	8	109.7758	0.136	8	109.4891	0.618	18	109.4891	0.618	18	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC3)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	N(C[3x6]C[6,6]3)(CH3)3	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CH3)3	110.2630	0.316	4	110.2630	0.100	4	109.4891	0.618	18	109.4891	0.618	18	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC3)	C[6,6](C[3x6]C[6,6]2N)2(H)2	N(C[3x6]C[6,6]3)(CH3)3	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CH3)3	108.6860	0.723	2	108.5908	0.271	6	109.4891	0.618	18	109.4891	0.618	18	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[3x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(NC3)	C[6,6](C[3x6]C[6,6]2N)2(H)2	N(C[3x6]C[6,6]3)(CH3)3	C[3x6](C[6,6]C[3x6]HH)3(NC3){1|N<4>,5|C<4>}	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	N(C[3x6]C[6,6]3)(CH3)3	108.5433	0.518	4	108.5908	0.271	6	109.4891	0.618	18	109.4891	0.618	18	109.0628	1.096	151	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[4x6]	C[4x6]	N	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	N(C[4x6]C[4x6]2C[6,6])(H)3	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	N(C[4x6]C[4x6]2C[6,6])(H)3	108.0195	0.036	2	108.0195	0.001	2	108.0195	0.001	2	108.0195	0.001	2	111.9981	6.788	8	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[4x6]	C[4x6]	N	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C-4:C-4:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H)	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(H){1|N<4>,4|C<4>,6|H<1>}	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	113.8893	0.623	4	113.8893	0.389	4	113.8893	0.389	4	113.8893	0.389	4	111.9981	6.788	8	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[4x6]	C[4x6]	N	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	N(C[4x6]C[4x6]2C[6,6])(H)3	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	N(C[4x6]C[4x6]2C[6,6])(H)3	112.1945	0.552	2	112.1945	0.305	2	112.1945	0.305	2	112.1945	0.305	2	111.9981	6.788	8	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[4x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	N(C[4x6]C[4x6]2C[6,6])(H)3	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]N)(C[6,6]C[3x6]HH)(NH3){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	N(C[4x6]C[4x6]2C[6,6])(H)3	107.3935	0.388	2	107.3935	0.151	2	107.3935	0.151	2	107.3935	0.151	2	106.6647	1.092	4	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[4x6]	C[6,6]	N	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:N-4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:C-4:C-4:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(NCCH){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	105.9360	1.000	2	105.9360	1.000	2	105.9360	1.000	2	105.9360	1.000	2	106.6647	1.092	4	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	109.4232	0.263	4	109.4232	0.069	4	109.4232	0.069	4	109.4232	0.069	4	110.1378	1.627	24	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H)	N(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H){1|Ge<6>,1|C<4>,2|H<1>,2|N<4>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H){1|C<4>,2|H<1>,5|O<2>}	N(C[6,6]C[3x6]2H)(H)3	109.8191	1.138	12	109.8191	1.295	12	109.8191	1.295	12	109.8191	1.295	12	110.1378	1.627	24	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2(H)	113.4560	0.000	1	113.4560	0.000	1	112.1590	3.364	2	112.1590	3.364	2	110.1378	1.627	24	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	N(C[6,6]C[3x6]2H)(CH3)2(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2(H)	110.8620	0.000	1	110.8620	0.000	1	112.1590	3.364	2	112.1590	3.364	2	110.1378	1.627	24	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[3x6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(H){1|N<4>,6|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	110.5780	1.183	6	110.5780	1.400	6	110.5780	1.400	6	110.5780	1.400	6	110.1378	1.627	24	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	N(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	111.6070	1.532	6	111.6070	2.348	6	111.6070	2.348	6	111.6070	2.348	6	111.6222	1.532	10	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	111.6450	0.825	4	111.6450	0.681	4	111.6450	0.681	4	111.6450	0.681	4	111.6222	1.532	10	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6,6]	N	3:4:4:1:	4:4:3:1:	4:4:4:1:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	114.3934	5.805	7	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:3:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N(C[6]C[6,6]C[6]H)(CH3)2(H)	115.0370	0.000	3	115.0370	0.000	3	115.2436	0.081	5	115.2436	0.081	5	114.3934	5.805	7	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:3:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N(C[6]C[6,6]C[6]H)(CH3)2(H)	115.5535	0.046	2	115.5535	0.002	2	115.2436	0.081	5	115.2436	0.081	5	114.3934	5.805	7	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6,6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	N(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6,6]C[6]H)(H)3	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	114.3934	5.805	7	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(H)3	108.4835	0.117	2	108.4835	0.014	2	108.0957	0.205	4	108.0957	0.205	4	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	N(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(H)3	107.7080	0.007	2	107.7080	0.000	2	108.0957	0.205	4	108.0957	0.205	4	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)2	107.5778	1.544	5	107.8470	1.800	7	107.8470	1.800	7	107.8470	1.800	7	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	N(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)2	108.5200	0.059	2	107.8470	1.800	7	107.8470	1.800	7	107.8470	1.800	7	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	110.8575	1.428	2	110.8575	2.038	2	110.8575	2.038	2	110.8575	2.038	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	109.5077	3.294	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	109.9785	2.293	2	109.9785	5.259	2	109.9785	5.259	2	109.5077	3.294	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:1:	4:4:4:4:	4:1:1:1:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	N(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[5a,6]C[6]H)(H)3	112.2985	0.452	2	112.2985	0.204	2	112.2985	0.204	2	112.2985	0.204	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:N-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	N(C[6]C[6]2C)(NHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	N(C[6]C[6]2C)(NHH)(H)2	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	2:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	109.8840	0.484	2	109.8840	0.234	2	109.8840	0.234	2	109.8840	0.234	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	N(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6]H)(H)3	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.7542	0.531	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	110.4200	0.000	1	110.4200	0.000	1	109.5903	0.627	3	109.7542	0.531	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.1755	0.472	2	109.1755	0.222	2	109.5903	0.627	3	109.7542	0.531	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	109.7542	0.531	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	110.3816	1.643	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	110.8055	0.996	4	110.8055	0.993	4	110.8055	0.993	4	110.3816	1.643	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	N(C[6]C[6]2H)(CCHH)3	113.8540	2.629	2	113.8540	6.912	2	113.8540	6.912	2	113.8540	6.912	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.9740	0.244	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	109.9740	0.244	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	N(C[6]C[6]2H)(H)3	109.7160	0.000	2	109.7160	0.000	2	109.7160	0.000	2	109.7160	0.000	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	111.2442	0.750	4	111.2442	0.562	4	110.8902	1.048	5	110.8902	1.048	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	109.4740	0.000	1	109.4740	0.000	1	110.8902	1.048	5	110.8902	1.048	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	109.4915	0.644	2	109.4915	0.415	2	110.5345	0.410	10	110.5345	0.410	10	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	110.7155	0.258	4	110.7155	0.067	4	110.5345	0.410	10	110.5345	0.410	10	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	110.8750	0.321	4	110.8750	0.103	4	110.5345	0.410	10	110.5345	0.410	10	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)2(NH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)2(NH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	N(C[6]C[6]2H)(H)3	111.8675	1.199	2	111.8675	1.437	2	111.8675	1.437	2	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	109.7780	0.000	1	109.7780	0.000	1	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2H)(H)3	109.8640	0.000	1	109.8640	0.000	1	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.4800	0.960	2	109.4800	0.922	2	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.9370	0.000	1	109.5094	2.594	43	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.4668	1.064	6	109.5094	2.594	43	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.5046	1.716	36	109.5094	2.594	43	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	108.7420	0.000	1	108.7420	0.000	1	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(H)3	110.8775	0.844	2	110.8775	0.712	2	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	110.3135	1.145	4	109.4611	1.321	10	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	108.8928	0.789	6	109.4611	1.321	10	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.0470	0.000	1	110.5205	2.218	4	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.6783	1.782	3	110.5205	2.218	4	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	N(C[6]C[6]2H)(H)3	111.8540	0.000	2	111.8540	0.000	2	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(H)3	110.8330	0.839	4	110.8330	0.704	4	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.5378	1.320	6	109.5378	1.742	6	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.9300	0.000	1	109.9300	0.000	1	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.5990	0.000	1	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	110.9855	1.730	2	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.5943	1.116	14	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	108.6040	1.209	6	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.7885	0.755	53	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	110.4187	0.702	6	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.0326	1.449	163	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.3013	0.752	4	109.9250	1.695	249	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.4770	0.933	6	109.4770	0.870	6	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	111.3970	1.724	4	111.3970	2.972	4	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.0094	0.580	8	109.0094	0.337	8	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N(C[6]C[6]2H)(H)3	109.1110	0.000	1	109.1110	0.000	1	109.8663	1.797	345	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	108.2543	1.460	3	108.2543	2.131	3	108.2543	2.131	3	109.8639	1.833	350	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(NHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(OB[6a])(H)2	C[6](C[6]C[6]HH)2(NHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(OB[6a])(H)2	109.4210	2.094	2	109.4210	4.387	2	109.4210	4.387	2	109.4210	4.387	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	111.8520	0.000	1	111.8520	0.000	1	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	109.7330	1.071	4	109.7330	1.148	4	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	110.3025	0.566	2	110.3025	0.321	2	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	111.2060	0.000	1	111.2060	0.000	1	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	114.4980	0.000	1	111.2883	7.752	3	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	109.6835	0.227	2	111.2883	7.752	3	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	111.2820	0.252	2	111.2578	4.396	8	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	111.2497	2.478	6	111.2578	4.396	8	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(H)2	108.3551	1.249	7	108.3551	1.559	7	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	110.4498	1.597	5	110.4498	2.549	5	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCCH)(H)2	112.7220	0.000	1	112.7220	0.000	1	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	112.1020	0.000	1	112.1020	0.000	1	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	112.6430	0.000	1	112.6430	0.000	1	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	109.6560	2.174	2	109.6560	4.725	2	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	110.0388	1.456	30	110.0388	2.119	30	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(H)2	108.7145	2.504	2	108.7145	6.269	2	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	109.6587	1.670	4	109.8392	2.824	12	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	109.9295	1.793	8	109.8392	2.824	12	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	110.1890	1.261	6	110.1890	1.590	6	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NCHH)(H)	C[6](C[6]C[6]HN)2(H)2	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	110.1158	1.063	6	110.1158	1.129	6	110.1362	2.758	92	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	N(C[6]C[6]2H)2(H)2	109.9235	1.303	2	109.9530	3.447	331	109.9533	3.440	333	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(H)2	109.9532	1.861	329	109.9530	3.447	331	109.9533	3.440	333	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)2(H)2	110.0015	2.146	2	110.0015	4.606	2	109.9533	3.440	333	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(SO3)(H)2	C[6](C[6]C[6]HH)2(NHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SO3)(H)2	110.2340	3.240	2	110.2340	10.497	2	110.2340	10.497	2	109.9898	3.301	428	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	111.7930	0.000	1	111.7930	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	110.1680	0.000	1	110.1680	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	113.2830	0.000	1	113.2830	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	113.8760	0.000	1	113.8760	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	114.1445	0.646	2	114.1445	0.417	2	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	113.3850	0.000	1	113.3850	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	112.5740	0.000	1	112.5740	0.000	1	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	110.6230	0.515	2	110.6230	0.265	2	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	111.4522	1.322	10	111.4522	1.747	10	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCCH)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(NCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	110.7395	2.522	2	110.7395	6.362	2	111.8461	2.487	22	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)2(CHHP)(H)	C[6](C[6]C[6]HH)2(NC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CHHP)(H)	110.9215	2.325	4	110.9215	5.407	4	110.9215	5.407	4	111.7039	2.854	26	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)3	113.5670	0.000	2	113.5670	0.000	2	113.5670	0.000	2	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CCHH)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCHH)3	113.4185	2.389	2	113.4185	5.709	2	112.9030	1.107	13	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CH3)3	112.9370	0.000	2	112.9370	0.000	2	112.9030	1.107	13	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CH3)3	112.7510	0.000	1	112.7510	0.000	1	112.9030	1.107	13	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	N(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(NC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)3	112.9360	0.191	2	112.9360	0.036	2	112.9030	1.107	13	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NC3)(H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]HH)2(NC3)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2H)(CCHH)(CH3)2	112.7342	1.166	6	112.7342	1.361	6	112.9030	1.107	13	112.9915	1.003	15	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	107.3220	0.000	1	107.3220	0.000	1	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	110.4995	0.943	4	110.0018	0.771	10	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	109.6700	0.723	6	110.0018	0.771	10	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	109.7885	0.278	2	109.7885	0.077	2	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(H)3	107.5860	0.000	1	107.5860	0.000	1	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	109.3270	0.000	1	109.3270	0.000	1	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(NH3)(H)	C[6](C[6]C[6]HN)2(OH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)2(NH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	109.1953	1.140	4	109.1953	1.299	4	109.5058	1.245	19	109.5344	1.196	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	106.7340	0.000	1	106.7340	0.000	1	107.8743	2.217	3	107.8743	2.217	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	109.5590	0.000	1	109.5590	0.000	1	107.8743	2.217	3	107.8743	2.217	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	107.3300	0.000	1	107.3300	0.000	1	107.8743	2.217	3	107.8743	2.217	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	N(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)3	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	110.1425	0.432	2	110.1425	0.187	2	110.1425	0.187	2	110.1425	0.187	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	110.5800	0.047	2	111.2375	1.586	4	111.2375	1.586	4	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	111.8950	1.739	2	111.2375	1.586	4	111.2375	1.586	4	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	108.1180	0.000	1	108.1180	0.000	1	110.1844	1.217	10	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.9410	0.223	2	109.9410	0.050	2	110.1844	1.217	10	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	109.9240	1.104	3	109.9240	1.218	3	110.1844	1.217	10	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	111.0180	0.604	4	111.0180	0.365	4	110.1844	1.217	10	110.4853	1.452	14	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	109.6530	0.000	1	109.6530	0.000	1	109.4300	0.197	3	109.4300	0.197	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	109.3185	0.565	2	109.3185	0.319	2	109.4300	0.197	3	109.4300	0.197	3	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	107.9910	0.000	1	107.9910	0.000	1	109.8808	1.402	5	109.8808	1.402	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	110.0575	0.889	2	110.0575	0.790	2	109.8808	1.402	5	109.8808	1.402	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	110.7010	0.000	1	110.7010	0.000	1	109.8808	1.402	5	109.8808	1.402	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	N(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	110.5970	0.000	1	110.5970	0.000	1	109.8808	1.402	5	109.8808	1.402	5	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	110.3408	1.848	36	110.3408	3.416	36	110.3408	3.416	36	110.3408	3.416	36	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	110.8120	0.233	2	110.8120	0.054	2	110.2121	4.812	20	110.2121	4.812	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	109.8733	3.246	6	109.8733	10.535	6	110.2121	4.812	20	110.2121	4.812	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(H)2	110.5540	1.889	7	110.5540	3.567	7	110.2121	4.812	20	110.2121	4.812	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	109.9002	1.909	5	109.9002	3.644	5	110.2121	4.812	20	110.2121	4.812	20	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(CC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(NH3)(CC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	108.3430	0.013	2	108.3430	0.000	2	108.3430	0.000	2	108.3430	0.000	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	N(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6]C[6]2C)(H)3	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2C)(H)3	109.2440	0.000	1	109.2440	0.000	1	109.2111	0.349	8	109.2111	0.349	8	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2C)(H)3	109.4988	0.647	4	109.4988	0.418	4	109.2111	0.349	8	109.2111	0.349	8	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(NH3)(COO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(NH3)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	108.8167	0.439	3	108.8167	0.193	3	109.2111	0.349	8	109.2111	0.349	8	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCCH)(COO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C[6](C[6]C[6]HH)2(NCCH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CCHH)2(H)	107.5305	0.622	2	107.5305	0.386	2	107.5305	0.386	2	107.5305	0.386	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	108.6740	0.790	4	108.6740	0.624	4	108.6740	0.624	4	108.6740	0.624	4	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(NH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2C)(H)3	107.6055	0.446	4	107.6055	0.199	4	108.2977	0.809	8	108.2977	0.809	8	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CNdOO)(NH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CNdOO)(NH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	108.9900	0.641	4	108.9900	0.411	4	108.2977	0.809	8	108.2977	0.809	8	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N(C[6]C[6]2C)(CC[6a]HH)(H)2	108.0610	2.149	4	108.0610	4.620	4	108.0610	4.620	4	108.0610	4.620	4	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	4:4:5:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-5:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CNd2OO)(NH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	N(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CNd2OO)(NH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	108.7125	1.872	2	108.7125	3.503	2	108.7125	3.503	2	108.7125	3.503	2	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	6:4:4:1:	4:4:1:1:	4:4:1:1:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	892	0:SP3_SP3_SP3	C[6]	C[6]	N	6:4:4:1:	4:4:1:1:	4:4:4:1:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	110.0136	2.918	1015	109.9386	2.977	1219
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[3x6]	O	4:4:3:2:	3:4:2:1:	4:3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C-3:	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	105.2715	0.025	2	105.2715	0.001	2	105.2715	0.001	2	105.2715	0.001	2	105.2715	0.001	2	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[4x6]	O	4:4:3:2:	4:4:2:4:	4:3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[4x6]-4:C[3x6]-4:O[6,6]-2:C-4:	C[3x6]-4:C-3:	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	112.0290	0.406	2	112.0290	0.165	2	112.0290	0.165	2	112.0290	0.165	2	110.2310	9.781	3	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[6,6]-4:C[4x6]-4:O-2:	C[3x6]-4:C[3x6]-4:C[3x6]-4:C[3x6]-4:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC)	C[4x6](C[3x6]C[6,6]2H)3(C[3x6]C[6,6]2O)	O(C[3x6]C[4x6]C[6,6]2)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC){5|H<1>,7|C<4>}	C[4x6](C[3x6]C[6,6]2H)3(C[3x6]C[6,6]2O){16|H<1>,4|C<4>}	O(C[3x6]C[4x6]C[6,6]2)(CCO)	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	110.2310	9.781	3	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[4x6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	O(C[3x6]C[4x6]C[6,6]2)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[4x6]C[3x6]3)(OC){5|H<1>,7|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	O(C[3x6]C[4x6]C[6,6]2)(CCO)	109.5730	0.573	2	109.5730	0.328	2	109.5730	0.328	2	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	O(C[3x6]C[6,6]3)(CCO)	111.6880	1.759	2	111.6880	3.095	2	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CCH)	108.5677	3.587	6	108.5677	12.868	6	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CCO)	108.4511	4.170	9	108.4511	17.392	9	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CC[5]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CC[5]O)	108.8262	3.789	17	108.8262	14.358	17	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CC[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CC[6]O)	108.6356	4.534	9	108.6356	20.559	9	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CC[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CC[6a]O)	108.6900	5.089	3	108.6900	25.896	3	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CNO)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CNO)	108.7120	3.849	6	108.7120	14.814	6	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CN[6]O)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CN[6]O)	108.5390	5.636	3	108.5390	31.770	3	108.7739	14.977	55	108.8020	14.470	57	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CCO)	103.4970	0.000	1	103.4970	0.000	1	103.4970	0.000	1	103.0710	1.373	3	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	O(C[3x6]C[6,6]3)(CCO)	102.8580	1.573	2	102.8580	2.473	2	102.8580	2.473	2	103.0710	1.373	3	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6]3)(CCO)	106.3400	0.346	2	106.3400	0.120	2	106.3400	0.120	2	108.0797	4.091	4	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	O(C[3x6]C[6,6]3)(CCO)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(OC){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	O(C[3x6]C[6,6]3)(CCO)	109.8195	0.216	2	109.8195	0.047	2	109.8195	0.047	2	108.0797	4.091	4	108.4882	14.598	64	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[4x6]	C[3x6]	O	3:4:4:2:	4:4:2:2:	4:3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	C[4x6]-4:C-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	112.3315	0.063	2	112.3315	0.004	2	112.3315	0.004	2	112.3315	0.004	2	112.3315	0.004	2	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[4x6]	C[4x6]	O	3:4:4:2:	4:4:2:4:	4:3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[4x6]-4:C[3x6]-4:O[6,6]-2:C-4:	C[4x6]-4:C-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	103.4200	0.277	2	103.4200	0.077	2	103.4200	0.077	2	103.4200	0.077	2	103.4200	0.077	2	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	3:4:4:2:	4:4:3:1:	4:3:	C[6,6]-3:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]C)(CCO)	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:2:2:1:	4:4:4:4:	4:3:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:3:2:1:	4:4:3:4:	4:3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	110.5360	0.000	1	110.5360	0.000	1	111.1950	0.869	2	111.1950	0.869	2	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:3:2:1:	4:4:3:4:	4:3:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	111.8540	0.000	1	111.8540	0.000	1	111.1950	0.869	2	111.1950	0.869	2	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(CC[5,5,6]O)	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	112.0212	1.659	5	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(CCO)	111.3215	1.032	2	112.0295	2.212	4	112.0295	2.212	4	112.0212	1.659	5	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(CCO)	112.7375	1.889	2	112.0295	2.212	4	112.0295	2.212	4	112.0212	1.659	5	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	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(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:3:3:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	105.9620	0.000	1	105.9620	0.000	1	105.9620	0.000	1	105.9620	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:3:4:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	109.3530	3.346	2	109.0406	6.598	10	109.0406	6.598	10	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	108.9915	1.604	2	109.0406	6.598	10	109.0406	6.598	10	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	109.7390	4.237	2	109.0406	6.598	10	109.0406	6.598	10	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	108.5598	2.919	4	109.0406	6.598	10	109.0406	6.598	10	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CCO)	110.2412	3.227	4	109.8658	12.563	24	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	110.0703	3.521	12	109.8658	12.563	24	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CCO)	109.3714	4.112	8	109.8658	12.563	24	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	110.1985	8.239	2	110.1985	67.873	2	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	109.3961	2.427	100	109.3962	5.723	108	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	109.3978	2.041	8	109.3962	5.723	108	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(COO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(COO)	108.4645	1.117	2	108.4645	1.247	2	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(COS)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(COS)	109.0365	0.977	2	109.0365	0.954	2	109.4708	7.147	138	109.4417	7.077	148	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	111.0280	2.489	2	111.0280	6.195	2	111.0280	6.195	2	111.0280	6.195	2	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.5751	3.409	7	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	108.0995	2.904	2	108.0995	8.434	2	108.0995	8.434	2	108.5751	3.409	7	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	108.7685	0.209	2	108.7685	0.044	2	108.9100	3.656	4	108.5751	3.409	7	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	111.3800	0.000	1	111.3800	0.000	1	108.9100	3.656	4	108.5751	3.409	7	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	106.7230	0.000	1	106.7230	0.000	1	108.9100	3.656	4	108.5751	3.409	7	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	O(C[6,6]C[3x6]2H)(CCO)	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	110.0565	1.251	2	110.0565	1.565	2	110.0565	1.565	2	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	109.0805	1.156	2	109.0805	1.337	2	108.9313	3.609	20	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)(CCO)	108.8710	0.000	1	108.8710	0.000	1	108.9313	3.609	20	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	108.6730	0.000	1	108.9075	5.859	11	108.9313	3.609	20	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	108.9309	2.550	10	108.9075	5.859	11	108.9313	3.609	20	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	108.9353	1.311	6	108.9353	1.718	6	108.9313	3.609	20	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	108.9845	4.269	2	108.9845	18.223	2	108.9845	18.223	2	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:I-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2I)2(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I)	O(C[6,6]C[3x6]2H)(CCN)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(I){1|I<1>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)(CCN)	109.0210	0.246	2	109.0210	0.061	2	109.0210	0.061	2	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	108.4170	2.313	4	108.4170	5.349	4	108.4170	5.349	4	109.0565	3.973	31	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OC){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	O(C[6,6]C[3x6]2H)(CCO)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(CCO)	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	3:4:4:4:	4:3:	C[3x6]-4:C[6,6]-4:C-4:O-2:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(CCO)	100.8575	0.658	2	100.8575	0.433	2	100.8575	0.433	2	100.8575	0.433	2	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C)(CCO)	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C)(CCO)	107.0300	5.882	2	107.0300	34.595	2	107.0300	34.595	2	107.0300	34.595	2	109.3070	7.237	206	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[4x6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C-3:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,2|C<4>,8|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:2:2:2:	4:3:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6]-4:C[6a]-3:	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a])	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi)	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi){1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	109.8800	2.390	2	109.8800	5.712	2	109.8800	5.712	2	108.3717	5.334	13	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	108.3717	5.334	13	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	108.3469	2.152	7	108.3469	4.631	7	108.3469	4.631	7	108.3717	5.334	13	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	105.4815	1.573	2	105.4815	2.475	2	105.4815	2.475	2	108.3717	5.334	13	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	O(C[6,6]C[6,6]2H)(CC[6a]O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6,6]C[6,6]2H)(CC[6a]O)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.3717	5.334	13	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	110.2860	2.314	4	110.2860	5.355	4	109.7772	5.311	5	110.5069	16.129	7	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	107.7420	0.000	1	107.7420	0.000	1	109.7772	5.311	5	110.5069	16.129	7	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	O(C[6,6]C[6,6]2H)(CCO)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|O<2>,1|S<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]2H)(CCO)	106.5770	0.000	1	106.5770	0.000	1	112.3310	66.217	2	110.5069	16.129	7	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H)	O(C[6,6]C[6,6]2H)(CCO)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6,6](C[5,6]O[5,6]S[5]H)(C[6,6]C[6,6]HO)(O[6]Si[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6,6]C[6,6]2H)(CCO)	118.0850	0.000	1	118.0850	0.000	1	112.3310	66.217	2	110.5069	16.129	7	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:3:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[6,6]-4:C-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[5,6,6]HO)(O[6]C[5,6])(COO){1|N<3>,2|C<3>,6|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	108.4175	0.575	2	108.4175	0.330	2	108.4175	0.330	2	108.4175	0.330	2	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	O(C[6,6]C[6,6]2H)(CC[6a]O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	O(C[6,6]C[6,6]2H)(CC[6a]O)	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	O(C[6,6]C[3x6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|O<1>,1|S<3>,3|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(CCO)	111.3270	0.437	2	111.3270	0.191	2	111.3270	0.191	2	111.3270	0.191	2	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO)	O(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(CCO)	101.3130	0.000	1	101.3130	0.000	1	101.3130	0.000	1	101.3130	0.000	1	108.6937	10.452	27	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:3:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a])	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	115.4160	0.000	1	115.4160	0.000	1	115.4160	0.000	1	115.4160	0.000	1	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:3:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[3,6,6]C[3,6]C[6])(CCO)	105.2560	0.000	1	105.2560	0.000	1	105.2560	0.000	1	107.5350	4.197	3	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	108.6745	0.777	2	108.6745	0.604	2	108.6745	0.604	2	107.5350	4.197	3	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	109.3830	0.795	2	109.3830	0.632	2	109.3830	0.632	2	109.9032	0.894	4	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(CCO)	109.7280	0.000	1	109.7280	0.000	1	110.4235	0.967	2	109.9032	0.894	4	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(CCO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OC){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(CCO)	111.1190	0.000	1	111.1190	0.000	1	110.4235	0.967	2	109.9032	0.894	4	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	107.5350	0.181	2	107.7937	0.217	3	107.7937	0.217	3	107.7937	0.217	3	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	108.3110	0.000	1	107.7937	0.217	3	107.7937	0.217	3	107.7937	0.217	3	109.1832	6.637	11	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6,6]	C[6x6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C-3:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	O(C[6,6]C[6,6]C[6x6]H)(CCO)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6x6]H)(CCO)	106.8095	0.353	2	106.8095	0.125	2	106.8095	0.125	2	106.8095	0.125	2	106.8095	0.125	2	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	107.0280	0.331	2	108.5870	3.433	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	O(C[6]C[3x6]C[6]H)(CCO)	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.0280	0.331	2	108.5870	3.433	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){2|C<3>,3|C<4>,4|O<2>,9|H<1>}	O(C[6]C[3x6]C[6]H)(CCO)	110.4960	0.000	1	110.1460	0.245	2	110.1460	0.245	2	110.1460	0.245	2	108.5870	3.433	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,8|H<1>}	O(C[6]C[3x6]C[6]H)(CCO)	109.7960	0.000	1	110.1460	0.245	2	110.1460	0.245	2	110.1460	0.245	2	108.5870	3.433	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,5x6]-4:C[5x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[5x6]C[3x6]C[4x6]C[6])(C[6]C[6]HO)(H){1|O<1>,3|O<2>,5|C<4>,7|H<1>}	O(C[6]C[4x6]C[6]H)(CCO)	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	107.5327	1.058	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	O(C[6]C[4x6]C[6]H)(CCO)	107.3730	0.000	1	107.3730	0.000	1	107.7563	1.287	3	107.7563	1.287	3	107.5327	1.058	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	O(C[6]C[4x6]C[6]H)(CCO)	109.0330	0.000	1	107.9480	2.354	2	107.7563	1.287	3	107.7563	1.287	3	107.5327	1.058	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	O(C[6]C[4x6]C[6]H)(CCO)	106.8630	0.000	1	107.9480	2.354	2	107.7563	1.287	3	107.7563	1.287	3	107.5327	1.058	4	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:3:4:4:	4:3:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:4:	4:3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	107.4145	0.981	2	107.4145	0.962	2	107.4145	0.962	2	107.4145	0.962	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:3:4:4:	4:3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO)	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6]O[6]H)(CCO)	111.6380	0.875	2	111.6380	0.766	2	111.6380	0.766	2	111.6380	0.766	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]O[6]H)(CCO)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]O[5,6]C[6])(C[6]O[6]HO)(O[6]C[6])(H){4|H<1>,5|C<4>}	O(C[6]C[6,6]O[6]H)(CCO)	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	3:4:2:4:	4:3:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	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(C[6]C[6,6]2H)(CCO)	104.3950	0.000	1	104.3950	0.000	1	104.3950	0.000	1	104.3950	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	3:4:4:3:	4:3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2)	O(C[6]C[6,6a]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(CCO)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:4:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	105.8220	0.000	1	105.8220	0.000	1	105.8220	0.000	1	105.8220	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCC)	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9640	0.112	2	106.9640	0.012	2	108.2430	7.145	5	108.2430	7.145	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	106.8430	0.000	1	106.8430	0.000	1	108.2430	7.145	5	108.2430	7.145	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	113.0060	0.000	1	113.0060	0.000	1	108.2430	7.145	5	108.2430	7.145	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.4380	0.000	1	107.4380	0.000	1	108.2430	7.145	5	108.2430	7.145	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	107.6695	0.611	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6,6]H)(CCO)	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	107.6695	0.611	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	106.2820	0.677	2	106.2820	0.459	2	108.4878	7.008	4	108.4878	7.008	4	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.6935	1.050	2	110.6935	1.103	2	108.4878	7.008	4	108.4878	7.008	4	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:3:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CNO)	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:2:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	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(C[6]C[6,6]C[6]H)(CHO)	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.8945	2.418	2	107.8945	5.845	2	107.8945	5.845	2	107.8945	5.845	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:2:4:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	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(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	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(C[6]C[5,6,6]C[6,6]H)(CCO)	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:3:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	O(C[6]C[6,6]2H)(CCO)	105.2300	0.000	1	105.2300	0.000	1	105.2300	0.000	1	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.4490	0.000	1	110.4490	0.000	1	106.5384	3.317	8	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.8080	0.000	1	106.8080	0.000	1	106.5384	3.317	8	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	104.6330	0.000	1	104.6330	0.000	1	106.5384	3.317	8	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.0834	0.892	5	106.0834	0.796	5	106.5384	3.317	8	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.3590	0.000	1	110.3590	0.000	1	110.2852	0.584	4	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	109.7555	0.463	2	109.7555	0.215	2	110.2852	0.584	4	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	111.2710	0.000	1	111.2710	0.000	1	110.2852	0.584	4	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	107.7296	5.536	14	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:2:	4:3:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	O(C[6]C[6,6]2H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]2H)(CCO)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.4220	0.000	1	106.9954	0.327	5	106.9954	0.327	5	106.9954	0.327	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7490	0.532	2	106.9954	0.327	5	106.9954	0.327	5	106.9954	0.327	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.5285	0.080	2	106.9954	0.327	5	106.9954	0.327	5	106.9954	0.327	5	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CNO)	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:2:4:	4:3:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6]-4:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	O(C[6]C[3,6]C[6,6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	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(C[6]C[3,6]C[6,6]H)(CCO)	107.5625	0.798	2	107.5625	0.637	2	107.5625	0.637	2	107.5625	0.637	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	109.7890	4.049	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.9500	0.098	2	110.9500	0.010	2	110.9500	0.010	2	109.7890	4.049	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.1610	0.856	2	106.1610	0.732	2	106.1610	0.732	2	106.1610	0.732	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.1650	0.000	1	108.1650	0.000	1	107.5358	0.370	4	107.5358	0.370	4	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6370	0.052	2	107.6370	0.003	2	107.5358	0.370	4	107.5358	0.370	4	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7040	0.000	1	106.7040	0.000	1	107.5358	0.370	4	107.5358	0.370	4	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4935	0.814	2	107.4935	0.662	2	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.3720	0.000	1	108.3720	0.000	1	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){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)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.0620	0.000	1	107.7585	0.970	2	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4550	0.000	1	107.7585	0.970	2	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(COO)	109.7680	1.318	2	109.7680	1.737	2	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	107.1470	0.000	1	107.1470	0.000	1	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.6250	0.000	1	108.1442	2.212	6	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7050	0.000	1	108.1442	2.212	6	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.0700	1.493	2	108.1442	2.212	6	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3860	0.000	1	108.1442	2.212	6	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.0090	0.000	1	108.1442	2.212	6	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(COO)	109.9110	0.000	1	109.9110	0.000	1	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	105.2530	0.000	1	105.2530	0.000	1	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6740	0.000	1	109.6740	0.000	1	108.1919	2.230	17	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(S[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.3219	2.025	21	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.7310	0.000	1	107.7310	0.000	1	106.0660	5.544	2	106.5030	3.345	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	104.4010	0.000	1	104.4010	0.000	1	106.0660	5.544	2	106.5030	3.345	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	106.5030	3.345	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:C-3:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.1713	0.252	3	109.1713	0.063	3	109.1713	0.063	3	109.1713	0.063	3	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.8280	1.785	4	110.8280	3.188	4	110.8280	3.188	4	110.1958	2.879	6	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.0610	0.000	1	109.0610	0.000	1	108.9315	0.034	2	110.1958	2.879	6	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8020	0.000	1	108.8020	0.000	1	108.9315	0.034	2	110.1958	2.879	6	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	111.5870	0.000	1	111.5870	0.000	1	109.7850	3.730	3	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	107.7460	0.000	1	107.7460	0.000	1	109.7850	3.730	3	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	110.0220	0.000	1	110.0220	0.000	1	109.7850	3.730	3	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.2473	0.682	3	107.2473	0.466	3	108.7978	9.926	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	113.4490	0.000	1	113.4490	0.000	1	108.7978	9.926	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[4]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[4]O)	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.2620	0.000	1	108.7183	0.226	3	108.7183	0.226	3	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4465	0.088	2	108.7183	0.226	3	108.7183	0.226	3	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	104.8820	0.000	1	104.8820	0.000	1	104.8820	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,5|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3660	0.000	1	106.3660	0.000	1	106.9136	1.351	5	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.0660	0.757	2	106.0660	0.572	2	106.9136	1.351	5	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CHO)	107.4960	0.000	1	107.4960	0.000	1	106.9136	1.351	5	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.5740	0.000	1	108.5740	0.000	1	106.9136	1.351	5	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4740	0.000	1	107.4740	0.000	1	106.4257	1.609	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.4510	0.000	1	107.4510	0.000	1	106.4257	1.609	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	105.9020	0.000	1	105.9020	0.000	1	106.4257	1.609	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	104.8760	0.000	1	104.8760	0.000	1	106.4257	1.609	4	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.5753	0.190	3	109.5753	0.036	3	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.1430	0.000	1	106.1430	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.2027	1.190	4	110.2027	1.416	4	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.6290	0.000	1	110.6290	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.8545	0.951	2	108.8545	0.905	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.2780	0.000	1	109.5938	0.382	6	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.3870	0.000	1	109.5938	0.382	6	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.0850	0.126	3	109.5938	0.382	6	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6430	0.000	1	109.5938	0.382	6	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3995	1.319	2	108.3995	1.739	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.6240	0.387	2	106.9963	1.257	3	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	105.7410	0.000	1	106.9963	1.257	3	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8870	0.000	1	108.8870	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4790	0.000	1	107.4790	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7400	0.000	1	106.8495	0.024	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9590	0.000	1	106.8495	0.024	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	105.9240	0.000	1	105.9240	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3160	0.000	1	107.3160	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	106.3350	0.000	1	106.3350	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	105.7580	0.000	1	105.7580	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3380	2.927	2	109.3380	8.570	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	111.3680	0.557	2	111.3680	0.310	2	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){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[6,6a]HH)(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	106.2470	0.000	1	106.2470	0.000	1	108.6407	3.200	35	108.4513	4.256	60	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.2535	0.028	2	109.2535	0.001	2	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	111.7150	0.000	1	111.7150	0.000	1	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	111.2180	0.000	1	110.1723	2.453	4	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.8237	1.718	3	110.1723	2.453	4	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	112.3830	0.000	1	112.0215	0.261	2	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	111.6600	0.000	1	112.0215	0.261	2	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.2580	0.000	1	108.2580	0.000	1	110.3212	2.441	10	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	110.9794	5.642	12	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO){4|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.9010	0.000	1	108.8690	0.002	2	108.8690	0.002	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8370	0.000	1	108.8690	0.002	2	108.8690	0.002	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3460	0.000	1	106.3460	0.000	1	107.1530	1.302	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.9600	0.000	1	107.9600	0.000	1	107.1530	1.302	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6080	0.000	1	109.5345	0.011	2	109.5345	0.011	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.4610	0.000	1	109.5345	0.011	2	109.5345	0.011	2	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	112.7040	0.812	2	112.9608	0.680	4	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	113.2175	1.057	2	112.9608	0.680	4	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3020	0.000	1	109.3020	0.000	1	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3420	0.000	1	108.3420	0.000	1	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	110.1800	0.860	2	110.1800	0.739	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6500	1.182	3	109.6112	0.716	5	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.5530	0.249	2	109.6112	0.716	5	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	109.1240	0.000	1	109.1930	0.010	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	109.2620	0.000	1	109.1930	0.010	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	110.8380	0.000	1	110.8380	0.000	1	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.7417	1.538	3	108.7417	2.364	3	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.9070	0.385	2	107.9070	0.148	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6040	0.000	1	108.1450	0.585	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.6860	0.000	1	108.1450	0.585	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	106.9220	0.000	1	106.9220	0.000	1	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6775	0.459	2	107.6775	0.211	2	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3890	0.000	1	108.4995	0.768	6	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3070	0.730	3	108.4995	0.768	6	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3435	0.043	2	108.4995	0.768	6	109.3353	3.107	32	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3740	0.000	1	109.3740	0.000	1	108.3050	1.205	3	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.7705	0.834	2	107.7705	0.695	2	108.3050	1.205	3	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)2(C[6]C[6]HO){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	111.0400	0.000	1	111.0400	0.000	1	108.9164	1.487	5	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.2320	0.000	1	108.2320	0.000	1	108.9164	1.487	5	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8630	0.000	1	108.4367	0.140	3	108.9164	1.487	5	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.2235	0.087	2	108.4367	0.140	3	108.9164	1.487	5	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	105.7980	0.000	1	105.7980	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6235	1.092	2	107.6235	1.194	2	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.8580	0.000	1	107.8580	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.0700	0.000	1	107.0700	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	108.7630	0.000	1	108.7630	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[5]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5]O)	109.8200	0.000	1	109.8200	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.6420	0.000	1	108.6420	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	105.9580	0.129	2	105.9580	0.017	2	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.0270	0.000	1	110.0270	0.000	1	107.7401	2.324	11	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	108.8148	2.739	61	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:2:2:	4:4:3:2:	4:3:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)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(C[6]C[6,6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|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]){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]O)(CCO)	101.3515	1.896	2	101.3515	3.594	2	101.3515	3.594	2	101.3515	3.594	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:4:2:	3:4:3:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(CC[6a]O)	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]C)(CCO)	98.3649	0.000	1	98.3649	0.000	1	98.3649	0.000	1	102.5125	34.404	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]C)(CCO)	106.6600	0.000	1	106.6600	0.000	1	106.6600	0.000	1	102.5125	34.404	2	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(CNO)	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.4087	5.045	235	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:3:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	O(C[6]C[6]O[6]H)(CCO)	107.4890	0.000	1	107.4890	0.000	1	107.7515	0.138	2	107.7515	0.138	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:3:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]O)	108.0140	0.000	1	108.0140	0.000	1	107.7515	0.138	2	107.7515	0.138	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:3:4:2:	4:2:1:1:	4:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	2:4:4:4:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|O<1>,2|C<3>}	O(C[6]C[6]2H)(CCO)	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	106.1970	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:4:2:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	106.8030	0.611	3	106.8030	0.374	3	106.8030	0.374	3	106.8030	0.374	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	107.5920	0.000	1	107.5920	0.000	1	108.5360	0.715	4	108.5360	0.715	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	108.0520	0.000	1	108.0520	0.000	1	108.5360	0.715	4	108.5360	0.715	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	109.2320	0.000	1	109.2500	0.001	2	108.5360	0.715	4	108.5360	0.715	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	109.2680	0.000	1	109.2500	0.001	2	108.5360	0.715	4	108.5360	0.715	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[5]O)	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[5a,6]C[6]H)(CCO)	109.7650	0.000	1	109.7650	0.000	1	110.6635	1.615	2	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	111.5620	0.000	1	111.5620	0.000	1	110.6635	1.615	2	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.7390	0.322	2	107.7390	0.104	2	106.7113	1.608	6	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.0790	0.000	1	105.7697	1.286	3	106.7113	1.608	6	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	105.1150	0.000	2	105.7697	1.286	3	106.7113	1.608	6	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.4810	0.000	1	107.4810	0.000	1	106.7113	1.608	6	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	103.9683	1.086	3	103.9683	1.180	3	104.9693	4.794	4	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	107.9720	0.000	1	107.9720	0.000	1	104.9693	4.794	4	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	105.9270	0.000	1	105.9270	0.000	1	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	108.3890	0.000	1	108.3890	0.000	1	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	109.7225	0.050	2	108.3086	1.682	5	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	107.3660	0.178	3	108.3086	1.682	5	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	109.7130	0.103	2	109.1047	1.790	4	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	109.8890	0.000	1	109.1047	1.790	4	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	107.1040	0.000	1	109.1047	1.790	4	108.3889	2.024	11	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	105.9760	0.000	1	105.9760	0.000	1	107.3722	1.103	10	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.8950	0.000	1	106.8957	0.750	3	107.3722	1.103	10	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.3960	0.054	2	106.8957	0.750	3	107.3722	1.103	10	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.5598	0.717	5	107.5598	0.514	5	107.3722	1.103	10	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[5,6]O)	109.2600	0.000	1	109.2600	0.000	1	107.3722	1.103	10	107.6405	3.608	36	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	3:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CCO)	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.0480	0.000	1	107.0480	0.000	1	108.0903	2.239	3	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4180	0.000	1	108.6115	2.849	2	108.0903	2.239	3	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.8050	0.000	1	108.6115	2.849	2	108.0903	2.239	3	108.6923	3.530	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:3:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:4:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6]H)(CCO)	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:3:2:	3:4:2:1:	4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[6]2)(CCO)	100.2040	0.000	1	101.0673	0.586	3	101.0673	0.586	3	101.0673	0.586	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:3:2:	3:4:2:1:	4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	O(C[6]C[6,6a]C[6]2)(CCO)	101.3360	0.000	1	101.0673	0.586	3	101.0673	0.586	3	101.0673	0.586	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:3:2:	3:4:2:1:	4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6]2)(CCO)	101.6620	0.000	1	101.0673	0.586	3	101.0673	0.586	3	101.0673	0.586	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:3:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2{1|O<1>,4|C<3>}	O(C[6]C[6]2C)(CC[6a]O)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	3:4:4:2:	2:4:1:1:	4:3:	C[6]-3:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(CC[5,5,6]O)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-3:	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	105.7530	0.389	2	105.7530	0.151	2	105.7530	0.151	2	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	O(C[6]C[6]O[6]H)(CCO)	108.6220	0.000	1	108.6220	0.000	1	108.6740	0.005	2	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCH)	108.7260	0.000	1	108.7260	0.000	1	108.6740	0.005	2	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.6228	1.297	5	106.6228	1.681	5	106.6228	1.681	5	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	104.0210	0.000	1	104.0210	0.000	1	104.0210	0.000	1	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.2913	1.110	3	106.2913	1.231	3	106.2913	1.231	3	106.5591	2.033	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	108.2303	0.832	3	108.2303	0.692	3	108.2303	0.692	3	108.2350	1.678	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	108.8390	2.500	2	108.8390	6.252	2	108.2378	2.590	5	108.2350	1.678	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	108.5270	0.000	1	108.5270	0.000	1	108.2378	2.590	5	108.2350	1.678	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	106.4460	0.000	1	106.4460	0.000	1	108.2378	2.590	5	108.2350	1.678	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	108.5380	0.000	1	108.5380	0.000	1	108.2378	2.590	5	108.2350	1.678	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.8410	1.349	2	107.8410	1.820	2	107.8410	1.820	2	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]O)	108.5000	0.000	1	108.5000	0.000	1	107.1860	1.297	3	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	106.5290	0.058	2	106.5290	0.003	2	107.1860	1.297	3	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	107.3325	0.581	4	107.3325	0.337	4	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(COO)	107.6430	0.000	1	107.6430	0.000	1	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CCO)	105.7860	0.082	2	105.7860	0.007	2	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCH)	108.6520	0.000	1	108.6520	0.000	1	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCN)	105.9600	0.000	1	104.8440	2.491	2	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCN)	103.7280	0.000	1	104.8440	2.491	2	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	108.3550	0.604	3	107.4121	2.872	10	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	109.1150	0.000	1	107.4121	2.872	10	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	106.6568	1.796	6	107.4121	2.872	10	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6]O)	108.3900	0.000	1	108.3900	0.000	1	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]C)	105.8780	0.000	1	105.8780	0.000	1	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	104.6040	0.000	1	104.6040	0.000	1	106.9512	2.535	23	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.9720	0.000	1	106.5878	2.277	26	106.9168	1.923	74	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.5724	1.538	25	106.5878	2.277	26	106.9168	1.923	74	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	105.6830	0.000	1	107.0950	1.684	48	106.9168	1.923	74	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.0490	0.000	1	107.0950	1.684	48	106.9168	1.923	74	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.1485	1.299	46	107.0950	1.684	48	106.9168	1.923	74	106.9506	2.004	102	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	O(C[6]C[6]O[6]H)(CCO)	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	106.6767	0.403	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	106.8825	0.743	2	106.8825	0.552	2	106.8825	0.552	2	106.6767	0.403	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]O)	107.3330	0.000	1	107.3330	0.000	1	107.1660	0.056	2	107.1660	0.056	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	O(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCO)	106.9990	0.000	1	106.9990	0.000	1	107.1660	0.056	2	107.1660	0.056	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(CCO)	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:3:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6]2H)(CCO)	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	104.4130	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.2743	0.729	3	107.2743	0.531	3	107.2743	0.531	3	107.2743	0.531	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:4:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:3:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	104.9740	0.000	1	104.9740	0.000	1	104.9740	0.000	1	104.9740	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:2:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	105.0900	0.000	1	105.0900	0.000	1	105.0900	0.000	1	105.0900	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	104.3670	0.000	2	104.3670	0.000	2	104.3670	0.000	2	104.3670	0.000	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	105.2190	0.000	1	105.2190	0.000	1	106.4675	2.114	6	106.4675	2.114	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	105.4830	0.000	1	106.7172	2.175	5	106.4675	2.114	6	106.4675	2.114	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.4660	0.000	1	106.7172	2.175	5	106.4675	2.114	6	106.4675	2.114	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.8190	2.335	2	106.7172	2.175	5	106.4675	2.114	6	106.4675	2.114	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9990	0.000	1	106.7172	2.175	5	106.4675	2.114	6	106.4675	2.114	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:4:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	107.7253	17.503	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	109.4870	0.000	1	109.4870	0.000	1	106.2180	21.373	2	107.7253	17.503	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	102.9490	0.000	1	102.9490	0.000	1	106.2180	21.373	2	107.7253	17.503	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.3240	0.146	2	108.3240	0.021	2	108.3240	0.021	2	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	110.3520	0.000	2	110.3520	0.000	2	108.4730	4.716	4	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CCO)	106.5940	0.161	2	106.5940	0.026	2	108.4730	4.716	4	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6]2H)(CCO)	104.1610	0.000	1	104.1610	0.000	1	106.3377	3.580	3	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.5880	0.000	1	107.5880	0.000	1	106.3377	3.580	3	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(COO)	107.2640	0.000	1	107.2640	0.000	1	106.3377	3.580	3	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.6770	0.000	1	107.6770	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	105.6435	1.742	2	105.6435	3.033	2	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	108.6470	0.000	1	108.6470	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	105.7908	1.601	6	105.7908	2.564	6	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CCO)	106.9720	0.000	1	108.1400	1.126	3	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.7240	0.453	2	108.1400	1.126	3	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.9980	0.000	1	108.9980	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	110.1150	0.000	1	110.1150	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.2880	0.000	1	106.2880	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.0240	0.000	1	108.0240	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.9010	0.000	1	109.9010	0.000	1	107.2279	3.551	18	107.3946	3.535	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.0950	0.000	1	109.0950	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	108.7920	0.000	1	108.7920	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CCO)	109.4030	0.000	1	109.4030	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.6210	0.000	1	108.6210	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	103.4980	0.000	1	104.8900	3.875	2	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2820	0.000	1	104.8900	3.875	2	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.2570	0.000	1	106.2570	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5800	0.000	1	106.5800	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8000	0.000	1	107.8000	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	108.9840	0.000	1	108.9840	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.3610	0.000	1	111.3610	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(CCO)	104.9360	0.000	1	104.9360	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.6020	0.000	1	109.4637	0.361	3	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.3945	0.832	2	109.4637	0.361	3	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.2920	0.000	1	106.2920	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	O(C[6]C[6]2H)(CCO)	106.7550	0.000	1	106.7550	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	O(C[6]C[6]2H)(CCO)	111.0340	0.000	1	111.0340	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.4190	0.000	1	108.4190	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.0450	0.000	1	111.0450	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.0800	0.000	1	110.0800	0.000	1	108.2679	4.362	21	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	O(C[6]C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]N[6]H)(CC[6a]O)	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.3643	4.231	23	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	3:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.7380	0.000	1	107.7380	0.000	1	108.3103	0.682	6	108.3103	0.682	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.6028	0.891	4	108.6028	0.794	4	108.3103	0.682	6	108.3103	0.682	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.7130	0.000	1	107.7130	0.000	1	108.3103	0.682	6	108.3103	0.682	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2765	1.903	2	108.2765	3.621	2	108.2765	3.621	2	108.2765	3.621	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	104.7100	0.000	1	104.7100	0.000	1	104.7880	0.012	2	104.7880	0.012	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:1:1:	3:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	104.8660	0.000	1	104.8660	0.000	1	104.7880	0.012	2	104.7880	0.012	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:3:2:	3:4:4:1:	4:3:	C[6]-4:C[6]-3:C-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC){2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[6]2C)(CC[6a]O)	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2C)(CCO)	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6690	0.000	1	106.6690	0.000	1	107.3750	0.997	2	107.3750	0.997	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	108.0810	0.000	1	108.0810	0.000	1	107.3750	0.997	2	107.3750	0.997	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CNO)	109.8300	0.000	1	109.8300	0.000	1	109.9075	0.012	2	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.9850	0.000	1	109.9850	0.000	1	109.9075	0.012	2	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CNO)	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCH)	110.3960	0.000	1	110.3960	0.000	1	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.9260	0.242	2	107.9604	3.187	38	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	108.0179	1.817	36	107.9604	3.187	38	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.9703	2.502	6	107.9703	6.260	6	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CNO)	107.3537	2.973	6	107.3537	8.838	6	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(COO)	104.8790	0.000	1	104.8790	0.000	1	107.8791	4.132	52	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	112.8600	0.000	1	112.8600	0.000	1	108.8099	3.629	16	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9590	0.000	1	107.9590	0.000	1	108.8099	3.629	16	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.6913	1.697	12	108.6913	2.880	12	108.8099	3.629	16	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5290	0.000	1	106.5290	0.000	1	108.8099	3.629	16	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CCO)	109.3160	0.000	1	109.3160	0.000	1	108.8099	3.629	16	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CNO)	108.3825	0.183	2	108.3825	0.034	2	108.3825	0.034	2	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.2064	4.077	76	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CHO)	106.4950	0.000	2	106.4950	0.000	2	106.4950	0.000	2	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.6270	0.000	1	110.6270	0.000	1	110.6270	0.000	1	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.1270	0.000	1	108.1270	0.000	1	108.1517	3.416	3	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.3160	0.000	1	108.1640	6.830	2	108.1517	3.416	3	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.0120	0.000	1	108.1640	6.830	2	108.1517	3.416	3	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CCO)	108.9653	1.356	3	108.9653	1.838	3	108.9653	1.838	3	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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(C[6]C[6]2H)(CCO)	109.6130	0.882	2	109.6130	0.779	2	108.2724	2.098	7	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	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(C[6]C[6]2H)(CCO)	105.4230	0.000	1	105.4230	0.000	1	108.2724	2.098	7	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	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(C[6]C[6]2H)(CCO)	108.3145	0.173	4	108.3145	0.030	4	108.2724	2.098	7	108.5250	2.312	19	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	102.2820	0.000	1	102.2820	0.000	1	102.2820	0.000	1	107.6260	17.239	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	110.9150	0.044	2	110.9150	0.002	2	110.9150	0.002	2	107.6260	17.239	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	107.6260	17.239	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2{1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	106.5490	0.000	1	106.5490	0.000	1	107.0640	0.621	7	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(CCO)	106.7567	0.814	3	106.7567	0.663	3	107.0640	0.621	7	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(CC[5]O)	108.3620	0.000	1	108.3620	0.000	1	107.0640	0.621	7	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	106.8530	0.000	1	106.8530	0.000	1	107.0640	0.621	7	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CClC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(CClC)	107.4140	0.000	1	107.4140	0.000	1	107.0640	0.621	7	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.1700	1.124	2	106.1700	1.264	2	106.1700	1.264	2	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.3770	0.000	1	110.3770	0.000	1	110.0720	0.186	2	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.7670	0.000	1	109.7670	0.000	1	110.0720	0.186	2	108.3954	5.560	14	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(CCO)	105.0830	0.000	1	106.6630	4.993	2	106.6630	4.993	2	106.6630	4.993	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	108.2430	0.000	1	106.6630	4.993	2	106.6630	4.993	2	106.6630	4.993	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.0230	0.000	1	107.0230	0.000	1	109.5842	1.326	13	109.5842	1.326	13	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.7976	0.895	12	109.7976	0.801	12	109.5842	1.326	13	109.5842	1.326	13	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(CCO)	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3430	0.000	1	106.3430	0.000	1	106.3430	0.000	1	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	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(C[6]C[6]2H)(CCO)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	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(C[6]C[6]2H)(CCO)	110.7100	0.918	2	108.8615	4.977	4	108.8615	4.977	4	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	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(C[6]C[6]2H)(CCO)	107.4710	0.000	1	108.8615	4.977	4	108.8615	4.977	4	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5550	0.000	1	108.8615	4.977	4	108.8615	4.977	4	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CHO)	110.5240	0.000	2	110.5240	0.000	2	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.2335	0.524	2	109.2335	0.275	2	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0540	0.000	1	108.0540	0.000	1	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.3740	0.000	1	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6240	0.000	1	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.4320	0.000	1	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.1535	2.631	6	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.8313	0.868	6	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.1380	0.000	1	109.2173	3.382	16	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]HH)2(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.8060	2.944	2	109.8060	8.669	2	109.3330	2.947	23	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	114.6890	0.000	2	114.6890	0.000	2	114.6890	0.000	2	109.3992	4.830	33	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.9670	0.000	1	109.9670	0.000	1	108.5025	8.524	4	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CNO)	106.0695	0.131	2	106.0695	0.017	2	108.5025	8.524	4	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(CSS)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CSS)	111.9040	0.000	1	111.9040	0.000	1	108.5025	8.524	4	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7205	1.385	6	108.7205	1.918	6	107.9249	1.888	15	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.6650	0.000	1	104.6650	0.000	1	107.9249	1.888	15	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2630	0.314	2	107.7357	0.305	8	107.9249	1.888	15	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.6560	0.000	1	107.7357	0.305	8	107.9249	1.888	15	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9408	0.586	5	107.7357	0.305	8	107.9249	1.888	15	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.7790	1.464	4	109.7790	2.142	4	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.4120	0.000	1	106.4120	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	109.8130	0.000	1	109.8130	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.7280	0.000	1	106.7280	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2170	0.000	1	107.2170	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]2H)(CCO)	107.1360	0.595	2	107.1360	0.354	2	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6470	0.000	1	106.6470	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.5823	2.518	4	108.2076	2.154	28	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.5730	0.096	2	108.2076	2.154	28	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2880	1.330	22	108.2076	2.154	28	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5]O)	111.8020	0.000	1	111.8020	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.7080	0.000	1	110.1192	8.681	6	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.5977	3.639	4	110.1192	8.681	6	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.6160	0.000	1	110.1192	8.681	6	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.7190	0.000	1	109.2870	1.023	4	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.1430	1.187	3	109.2870	1.023	4	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0617	2.012	3	108.0617	4.050	3	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.2102	1.182	11	109.6983	2.060	15	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2908	1.164	4	109.6983	2.060	15	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.5957	1.069	3	108.5957	1.143	3	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9245	1.664	15	107.9245	2.768	15	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.4130	0.000	1	109.0610	0.840	2	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.7090	0.000	1	109.0610	0.840	2	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.7283	2.472	4	106.7283	6.108	4	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4395	1.150	2	106.4395	1.324	2	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4720	0.052	2	107.4720	0.003	2	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6]2H)(CCO)	111.3150	0.000	1	111.3150	0.000	1	108.5378	3.382	97	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9480	0.000	1	106.9480	0.000	1	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1532	1.410	10	108.1532	1.987	10	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.2040	0.000	1	109.2040	0.000	1	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.0280	0.126	2	110.0280	0.016	2	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.4750	0.000	1	109.4750	0.000	1	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0598	1.604	5	108.0598	2.574	5	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.3235	1.243	4	107.3235	1.545	4	108.2003	2.040	24	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	108.4335	3.211	144	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.6330	0.000	1	106.6330	0.000	1	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.7980	0.000	1	108.7980	0.000	1	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.7980	0.000	1	110.7980	0.000	1	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2670	0.000	2	108.1207	3.671	7	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.0135	0.103	2	108.1207	3.671	7	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.7613	3.024	3	108.1207	3.671	7	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.0380	0.000	1	107.0380	0.000	1	108.1920	3.298	11	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.7750	0.000	1	106.7750	0.000	1	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.6187	1.277	3	108.2705	2.830	8	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4616	1.399	5	108.2705	2.830	8	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6030	0.035	2	107.6030	0.001	2	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.3827	3.816	3	107.3827	14.561	3	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2250	0.000	1	107.2250	0.000	1	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1350	0.000	1	108.1350	0.000	1	107.8533	3.517	16	107.9913	3.326	27	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:2:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	106.5465	0.049	2	106.5465	0.002	2	106.5465	0.002	2	106.5465	0.002	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[4,6]C[6]H)(COO)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[4,6]C[6]H)(COO)	108.4770	0.000	2	108.4770	0.000	2	108.4770	0.000	2	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.8650	0.000	1	109.8650	0.000	1	110.3687	0.262	3	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	110.8890	0.000	1	110.8890	0.000	1	110.3687	0.262	3	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	110.3520	0.000	1	110.3520	0.000	1	110.3687	0.262	3	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.4430	0.865	3	106.4430	0.748	3	106.4430	0.748	3	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7175	0.370	2	108.7175	0.137	2	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.1090	0.000	1	107.8807	0.664	3	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9760	0.000	1	107.8807	0.664	3	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.5570	0.000	1	107.8807	0.664	3	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.9900	0.000	1	104.9900	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2540	0.000	1	108.2540	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.7410	0.000	1	107.6958	1.407	4	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.1500	0.000	1	107.6958	1.407	4	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6460	0.000	1	107.6958	1.407	4	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2460	0.000	1	107.6958	1.407	4	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	108.0465	0.971	2	108.0465	0.943	2	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.5725	0.368	2	110.5725	0.136	2	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.0303	1.667	10	106.0303	2.780	10	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.5910	0.000	1	107.5910	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.6360	0.000	1	108.6360	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7868	0.965	5	108.7868	0.931	5	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	110.2150	0.000	1	110.2150	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.4290	0.000	1	108.4290	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.7625	0.757	2	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.7100	0.000	1	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7475	0.371	2	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.8777	2.229	7	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4590	0.809	2	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.6440	0.454	4	108.5760	2.107	18	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.8450	0.000	1	107.4090	2.773	5	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.1840	3.147	2	107.4090	2.773	5	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.4160	0.949	2	107.4090	2.773	5	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.3660	0.000	1	108.3660	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7460	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.9240	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.8915	0.473	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.6400	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0110	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	105.5715	0.855	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8980	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.3837	1.472	9	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.5415	1.778	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8900	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4334	1.464	9	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6736	1.735	19	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9734	1.553	20	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.4495	1.443	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0962	1.782	52	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	105.6370	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.4300	3.994	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2346	1.701	5	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.4370	0.762	2	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.5920	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8492	1.310	4	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.6530	0.000	1	107.7973	2.785	139	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.7720	0.000	1	109.7720	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.8420	1.161	3	108.8420	1.349	3	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.8320	0.000	1	108.8320	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.6920	0.513	2	109.6920	0.264	2	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.2590	0.000	1	107.2590	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.5280	0.000	1	107.5280	0.000	1	107.8852	2.753	206	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-3:	C[6](C[6]O[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(SiCC)	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(SiCC)	109.3810	0.317	2	109.3810	0.100	2	109.3810	0.100	2	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	107.9261	2.771	217	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.8590	0.000	1	110.8590	0.000	1	109.6030	3.155	2	109.6030	3.155	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.3470	0.000	1	108.3470	0.000	1	109.6030	3.155	2	109.6030	3.155	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	106.2610	0.000	1	106.2610	0.000	1	109.2170	5.433	4	109.2170	5.433	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.0820	0.072	2	111.0820	0.005	2	109.2170	5.433	4	109.2170	5.433	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.4430	0.000	1	108.4430	0.000	1	109.2170	5.433	4	109.2170	5.433	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	105.6310	0.000	1	105.6310	0.000	1	107.9260	10.534	2	107.9260	10.534	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	110.2210	0.000	1	110.2210	0.000	1	107.9260	10.534	2	107.9260	10.534	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.8460	0.000	1	108.8460	0.000	1	108.8940	0.005	2	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.9420	0.000	1	108.9420	0.000	1	108.8940	0.005	2	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.3820	0.179	3	110.3820	0.032	3	109.9518	6.002	6	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	113.6340	0.000	1	113.6340	0.000	1	109.9518	6.002	6	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	106.1490	0.000	1	106.1490	0.000	1	109.9518	6.002	6	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.7820	0.000	1	108.7820	0.000	1	109.9518	6.002	6	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.6315	0.398	2	108.6315	0.158	2	108.6315	0.158	2	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.3450	0.000	1	107.3450	0.000	1	106.7807	11.261	4	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2530	0.000	1	106.2530	0.000	1	106.7807	11.261	4	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.8360	0.000	1	110.8360	0.000	1	106.7807	11.261	4	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	102.6890	0.000	1	102.6890	0.000	1	106.7807	11.261	4	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4840	0.000	1	109.6850	0.281	3	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.7855	0.708	2	109.6850	0.281	3	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.9430	0.000	1	105.8623	3.663	4	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.0890	0.000	1	105.8623	3.663	4	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.7085	2.931	2	105.8623	3.663	4	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	106.4540	0.000	1	106.4540	0.000	1	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	109.8830	0.000	1	109.8830	0.000	1	107.6490	5.397	9	108.3004	5.755	25	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.2240	0.000	1	107.2240	0.000	1	107.2240	0.000	1	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	107.6470	0.000	1	107.6470	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	108.8570	0.000	1	108.8570	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.0440	0.000	1	109.0440	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	106.4620	0.000	1	106.4620	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.2000	0.000	1	104.2000	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.8720	0.000	1	109.8720	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.0020	0.000	1	109.0020	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.2860	0.000	1	109.2860	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.7150	0.000	1	107.7150	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.3070	0.000	1	106.3070	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.0340	0.000	1	108.0340	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.5980	0.330	2	109.5383	0.065	3	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.4190	0.000	1	109.5383	0.065	3	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	104.7390	0.000	1	104.7390	0.000	1	107.9853	3.266	15	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.9105	0.631	2	108.1452	4.092	6	108.1452	4.092	6	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.0370	2.888	2	108.1452	4.092	6	108.1452	4.092	6	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.5290	0.000	1	108.1452	4.092	6	108.1452	4.092	6	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4470	0.000	1	108.1452	4.092	6	108.1452	4.092	6	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	107.9118	3.065	24	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	104.9265	0.135	2	104.9265	0.018	2	104.9265	0.018	2	104.9265	0.018	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	O(C[6]C[5,6,6]C[6]H)(CNO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(CNO)	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	110.6705	0.158	2	110.6705	0.025	2	109.9327	1.646	3	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	108.4570	0.000	1	108.4570	0.000	1	109.9327	1.646	3	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.7400	0.000	1	107.7400	0.000	1	108.6608	6.035	6	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	105.7950	0.000	1	105.7950	0.000	1	108.6608	6.035	6	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.7145	0.361	2	110.7145	0.131	2	108.6608	6.035	6	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.0010	0.000	1	106.0010	0.000	1	108.6608	6.035	6	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	111.0000	0.000	1	111.0000	0.000	1	108.6608	6.035	6	109.1698	4.525	11	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	111.4520	0.197	2	111.4520	0.039	2	111.4520	0.039	2	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	105.4330	0.000	1	105.4330	0.000	1	105.4330	0.000	1	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	107.4380	0.547	2	107.4380	0.300	2	107.4380	0.300	2	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	109.7570	0.413	2	109.7570	0.171	2	109.7570	0.171	2	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	109.1415	3.087	4	109.1415	9.528	4	109.1415	9.528	4	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	110.2590	1.397	2	110.2590	1.952	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	109.7875	0.350	2	109.7875	0.123	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	108.3545	1.539	4	108.3545	2.368	4	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.2530	0.000	1	107.2530	0.000	1	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	111.2510	0.000	1	111.2510	0.000	1	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	111.5760	0.446	5	111.5760	0.199	5	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	109.3175	2.673	15	109.3175	7.147	15	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	114.4070	0.000	1	112.9815	4.064	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	111.5560	0.000	1	112.9815	4.064	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	108.1625	1.852	2	108.1625	3.430	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.9792	2.449	6	107.9792	5.995	6	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6a]N[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6a]N[6a]2)(C[6]C[6]2H)	107.9345	2.365	6	107.9345	5.591	6	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.8592	2.282	14	107.8592	5.207	14	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	107.9635	2.579	2	107.9635	6.650	2	108.9255	5.982	62	108.9408	5.902	73	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(NC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(NC)	110.2635	0.917	2	110.2635	0.841	2	110.2635	0.841	2	109.4647	2.751	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a])	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a])	108.6660	2.205	2	108.6660	4.861	2	108.6660	4.861	2	109.4647	2.751	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	O(C[6]C[3,6]C[6]H)(CN[5a]S)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[3,6]C[6]H)(CN[5a]S)	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]O)	105.0920	0.000	1	105.0920	0.000	1	107.6525	3.255	4	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	108.3230	0.000	1	108.3230	0.000	1	107.6525	3.255	4	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	107.9000	0.000	1	107.9000	0.000	1	107.6525	3.255	4	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(CC[6a]O)	109.2950	0.000	1	109.2950	0.000	1	107.6525	3.255	4	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(CCO)	107.7890	0.000	1	108.7075	1.687	2	108.7075	1.687	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	O(C[6]C[3x6]C[6]H)(CCO)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(CCO)	109.6260	0.000	1	108.7075	1.687	2	108.7075	1.687	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[4x6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[4x6]C[6]H)(CCO)	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[4x6]C[6]H)(CCO)	107.1400	0.000	1	107.1913	1.055	3	107.1913	1.055	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4x6]C[6]H)(CCO)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[4x6]C[6]H)(CCO)	107.2170	1.451	2	107.1913	1.055	3	107.1913	1.055	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,5,6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,5,6]C[6]H)(CCO)	110.9495	1.665	2	110.9495	2.773	2	110.9495	2.773	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6,6]C[6]3)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(CCO)	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	108.6035	0.872	2	108.6035	0.760	2	108.3405	1.760	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	108.9590	0.000	1	108.9590	0.000	1	108.3405	1.760	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	107.4455	2.345	2	107.4455	5.501	2	108.3405	1.760	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(CCO)	108.9860	0.000	1	108.9860	0.000	1	108.3405	1.760	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.3385	0.210	2	108.3385	0.044	2	109.1682	0.852	5	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	110.4920	0.000	1	110.4920	0.000	1	109.1682	0.852	5	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.0380	0.000	1	109.0380	0.000	1	109.1682	0.852	5	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.6340	0.000	1	109.6340	0.000	1	109.1682	0.852	5	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.6960	0.000	1	108.6960	0.000	1	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.4940	0.000	1	108.3750	0.412	5	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.0952	0.167	4	108.3750	0.412	5	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CHO)	108.3950	0.000	1	108.3950	0.000	1	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	107.5750	0.000	1	107.5750	0.000	1	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	106.3920	0.000	1	107.2997	1.262	3	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.7535	1.135	2	107.2997	1.262	3	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.2990	0.000	1	106.2990	0.000	1	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.7520	0.000	1	109.7520	0.000	1	108.0378	1.093	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.6270	6.398	2	111.6270	40.933	2	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	111.2550	0.000	1	111.2550	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.3070	0.000	1	109.3070	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.1607	2.795	3	109.1607	7.810	3	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.4770	0.000	1	105.4770	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CCO)	108.6450	0.000	1	108.6450	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.7175	0.121	2	109.7175	0.015	2	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.2490	0.000	1	107.6355	0.753	2	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.0220	0.000	1	107.6355	0.753	2	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.3568	0.877	4	105.3568	0.768	4	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.7470	0.000	1	108.7470	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.8460	0.000	1	106.8460	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.7500	0.000	1	106.7500	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.8290	0.000	1	107.8290	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.4850	0.000	1	107.4850	0.000	1	108.1459	6.974	22	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CHO)	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7117	1.634	3	106.7117	2.669	3	106.7117	2.669	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3473	0.405	3	109.3473	0.164	3	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4960	0.000	1	108.4960	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.6460	0.000	1	104.6460	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.7860	0.000	1	108.7860	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9720	0.000	1	106.9720	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.9650	0.000	1	109.9650	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|F<1>,1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4090	0.000	1	107.4090	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.2520	0.000	1	104.9235	0.902	2	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	105.5950	0.000	1	104.9235	0.902	2	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	110.4790	0.000	1	110.4790	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.1960	0.000	1	108.1960	0.000	1	107.9106	4.089	13	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4000	0.000	1	107.4000	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.9710	0.000	1	107.9710	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.9200	0.000	1	107.9200	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9870	0.000	1	109.2270	4.184	3	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.3470	0.918	2	109.2270	4.184	3	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CHO)	109.9310	0.000	1	109.9310	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	107.8550	0.000	1	107.8550	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.1410	0.000	1	106.1410	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.0485	0.456	2	108.0485	0.208	2	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3123	1.210	4	106.3123	1.463	4	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.5850	0.000	1	107.5850	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.1675	1.037	2	108.1675	1.076	2	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.2320	0.000	1	108.2320	0.000	1	107.8104	2.063	19	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6320	0.000	1	109.6320	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6810	0.014	2	107.6810	0.000	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.6050	0.000	1	106.6050	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[4]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[4]O)	109.4530	0.000	1	109.4530	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.6742	1.016	5	108.6742	1.033	5	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.4920	0.000	1	110.0110	0.539	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.5300	0.000	1	110.0110	0.539	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	109.1550	0.000	1	109.1550	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.0750	0.000	1	109.0750	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3155	0.979	2	108.3155	0.959	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3410	0.000	1	107.3410	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8973	0.785	3	108.8973	0.616	3	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6480	0.000	1	108.0825	0.378	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.5170	0.000	1	108.0825	0.378	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4470	0.000	1	108.4470	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.2130	0.000	1	110.2130	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	110.0070	0.000	1	109.4940	1.366	7	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6490	0.093	2	109.4940	1.366	7	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.2883	1.603	4	109.4940	1.366	7	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.1360	0.000	1	109.1360	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	107.1170	0.000	1	107.1170	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[5]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5]O)	107.5650	0.000	1	107.5650	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	110.2710	0.000	1	109.2890	1.929	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.3070	0.000	1	109.2890	1.929	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.9560	0.000	1	107.9560	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	111.6866	0.423	5	111.6866	0.179	5	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.0870	0.000	1	108.3070	1.614	3	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.9930	0.000	1	108.3070	1.614	3	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.8410	0.000	1	108.3070	1.614	3	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.6170	0.000	1	108.6170	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.7260	0.000	1	109.7260	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.1700	0.000	1	108.1700	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	102.0040	0.000	1	102.0040	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CHO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CHO)	110.7660	0.000	1	110.7660	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.6740	1.669	2	109.6740	2.785	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.1910	0.000	1	109.1910	0.000	1	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	105.2250	0.164	3	105.2250	0.027	3	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.8420	0.840	2	108.8420	0.706	2	108.7846	3.247	58	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.0510	0.000	1	105.0510	0.000	1	106.9035	6.738	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.1873	0.904	3	109.1873	0.816	3	106.9035	6.738	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	104.4040	0.696	2	104.4040	0.484	2	106.9035	6.738	6	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9610	0.000	1	106.9610	0.000	1	107.7823	5.537	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1930	3.172	2	108.1930	10.062	2	107.7823	5.537	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	103.9600	0.000	1	103.9600	0.000	1	105.7535	6.433	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(COO)	107.5470	0.000	1	107.5470	0.000	1	105.7535	6.433	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.4360	0.000	1	111.4360	0.000	1	109.7240	5.862	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.0120	0.000	1	108.0120	0.000	1	109.7240	5.862	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6]2H)(CCO)	110.5090	0.100	2	110.5090	0.010	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.8600	0.000	1	109.8820	7.825	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9040	0.000	1	109.8820	7.825	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	108.0925	0.665	2	108.0925	0.443	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	112.3430	0.000	1	112.3430	0.000	1	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.4190	0.000	1	107.4190	0.000	1	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	111.9610	0.000	1	111.9610	0.000	1	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	108.1012	2.698	6	108.1012	7.280	6	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.6978	1.175	24	107.6978	1.381	24	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	108.7090	0.000	1	107.6830	2.105	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	106.6570	0.000	1	107.6830	2.105	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	109.1658	2.789	4	109.1658	7.777	4	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.7210	3.318	2	107.7210	11.007	2	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.0560	0.000	1	110.0560	0.000	1	108.3244	3.717	48	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.4020	0.000	1	107.4020	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6]2H)(CCO)	107.4540	0.000	1	107.4540	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.4580	0.000	1	108.4580	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	112.2160	0.000	1	112.2160	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	106.3190	0.000	1	106.3190	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.1220	0.000	1	111.1220	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.2800	0.000	1	105.9947	8.104	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	104.3520	0.136	2	105.9947	8.104	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.0270	0.000	1	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.9505	3.594	2	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	106.4060	0.000	1	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	105.8350	0.000	1	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.5594	0.762	7	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.5310	0.000	1	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.8342	2.038	32	107.4735	4.360	45	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.0790	0.000	1	108.4362	4.951	9	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.0780	0.000	1	108.4362	4.951	9	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.3956	2.417	7	108.4362	4.951	9	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CHO)	111.3030	0.000	1	111.3030	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(COO)	109.2310	0.000	1	109.2310	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	105.7750	0.000	1	105.7750	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.5350	0.000	1	106.9911	6.916	11	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	105.9087	0.970	3	106.9911	6.916	11	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.7570	0.000	1	106.9911	6.916	11	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	105.8152	2.376	4	106.9911	6.916	11	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	109.3115	4.752	2	106.9911	6.916	11	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	110.1840	0.000	1	110.3313	0.016	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	110.4050	0.000	2	110.3313	0.016	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	108.9100	0.000	1	108.2487	1.821	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.9180	1.728	2	108.2487	1.821	3	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.0367	1.841	12	108.0367	3.389	12	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	105.8440	0.000	1	105.8440	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.7580	0.000	1	111.3461	5.022	7	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.4442	2.438	6	111.3461	5.022	7	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.0550	0.305	2	111.0550	0.093	2	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4910	0.000	1	106.4910	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	105.9200	0.023	2	105.9200	0.001	2	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.4210	0.000	1	109.4210	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.3740	0.000	1	108.3740	0.000	1	108.0190	5.553	110	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9280	0.000	1	106.9280	0.000	1	109.2089	4.083	9	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.7140	0.000	1	106.7140	0.000	1	109.2089	4.083	9	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	110.6463	2.233	3	110.6463	4.986	3	109.2089	4.083	9	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.3247	1.292	4	109.3247	1.670	4	109.2089	4.083	9	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-3:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.6805	0.049	2	108.6805	0.002	2	108.6805	0.002	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.7700	1.360	2	107.7700	1.851	2	107.7700	1.851	2	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(BC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(BC[6a]C)	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	109.8600	0.000	1	109.8600	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	111.1240	0.000	1	111.1240	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	109.0027	0.331	3	109.0027	0.110	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.5310	1.260	2	109.5310	1.588	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4790	0.000	1	109.4790	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.4660	0.000	1	107.5555	7.300	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(CC[6a]O)	105.6450	0.000	1	107.5555	7.300	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.3630	0.000	1	107.3630	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.2920	0.000	1	110.2920	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	108.8120	0.000	1	108.8120	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.0540	1.246	2	109.0540	1.552	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7850	0.000	1	108.7850	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	O(C[6]C[6]2H)(CCO)	107.8740	0.000	1	107.8740	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	105.0490	0.000	1	105.0490	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.6320	0.000	1	109.6320	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CCO)	110.8740	0.717	2	110.8740	0.514	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.7220	0.000	1	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CCO)	106.1170	0.000	1	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6]2H)(CCO)	109.1160	0.000	1	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.5870	0.000	1	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CCO)	108.4909	1.004	7	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CCO)	108.5985	1.438	38	108.5249	1.871	49	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	109.0672	1.016	5	108.4760	0.944	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	108.1476	0.823	9	108.4760	0.944	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(COO)	109.8440	0.000	1	109.8440	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.0580	2.698	2	107.3613	3.916	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.9680	0.000	1	107.3613	3.916	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.8600	0.000	1	109.1560	3.359	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	110.4520	0.000	1	109.1560	3.359	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	110.0920	0.000	1	109.9450	0.246	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.8715	0.678	2	109.9450	0.246	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CC[3]O)	108.7175	0.146	2	108.7175	0.021	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	107.7190	0.000	1	107.7190	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	104.0080	0.000	1	104.0080	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCH)	106.6660	0.000	1	106.6660	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.8560	0.000	1	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.0807	1.948	37	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4780	0.000	1	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.0413	1.723	4	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	104.7610	0.000	1	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.9323	3.086	3	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.7160	0.000	1	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.8102	2.519	10	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.8100	0.897	4	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.8468	1.941	37	108.9437	4.041	99	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.2785	2.550	6	108.2541	4.076	15	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.2535	1.890	2	108.2541	4.076	15	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.6620	1.305	7	108.2541	4.076	15	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CHO)	106.4240	0.000	1	106.4240	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CNO)	109.0972	1.834	6	109.0972	3.363	6	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	111.1150	0.000	1	109.4965	5.239	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(COO)	107.8780	0.000	1	109.4965	5.239	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.4140	0.000	2	108.4140	0.000	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.1920	0.000	1	107.1920	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	106.5025	0.161	2	106.5025	0.026	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.9013	0.704	4	109.9013	0.495	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	113.3970	0.000	1	113.3970	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.9687	0.432	3	108.9687	0.187	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	108.2230	0.000	1	109.5547	2.000	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	110.2205	1.158	2	109.5547	2.000	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	105.9280	0.000	1	105.9280	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.6590	0.000	1	107.6590	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.5480	0.000	1	108.5480	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.3960	0.000	1	108.3960	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	108.9421	1.567	7	108.9421	2.455	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	105.1200	0.000	1	105.1200	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.9463	1.057	18	106.9463	1.117	18	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[3]O)	108.1425	0.590	2	108.1425	0.349	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5,5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5]O)	107.8580	0.000	2	107.8580	0.000	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5]O)	107.4044	1.122	10	107.4044	1.260	10	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	106.7480	0.000	1	106.7480	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6]Cr)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]Cr)	105.5430	0.000	1	105.5430	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]O)	107.6107	0.883	12	107.6107	0.780	12	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.6817	2.007	4	107.7966	3.086	5	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.2560	0.000	1	107.7966	3.086	5	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CNO)	104.8430	0.000	1	107.2654	3.949	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CNO)	107.6692	1.836	6	107.2654	3.949	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5]O)	107.4913	1.863	3	107.4913	3.471	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	107.2426	1.622	5	107.2426	2.631	5	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COO)	108.0693	1.323	14	108.0693	1.751	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COS)	109.4560	0.000	1	109.4560	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	103.0380	0.310	2	103.0380	0.096	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.7220	3.995	2	107.7220	15.961	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9613	2.232	3	107.9613	4.982	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5]O)	108.3820	0.000	1	108.3820	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	106.8230	0.496	2	106.8230	0.246	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	109.7280	0.000	1	109.7280	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.5530	0.000	1	109.5530	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	106.3980	0.000	1	106.3980	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CCO)	109.0970	0.000	1	109.0970	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.6140	0.000	1	108.6140	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	108.5480	0.000	1	108.5480	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.7127	1.125	4	108.7127	1.265	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	106.5730	0.000	1	106.5730	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4590	1.023	3	108.7429	4.294	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.3760	2.032	9	108.7429	4.294	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.9420	0.000	1	108.7429	4.294	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.6970	0.000	1	108.7429	4.294	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[3]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[3]H)	112.7380	0.000	1	112.7380	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	109.4610	0.000	1	109.4610	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.2434	1.604	5	109.5641	3.075	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.6620	0.000	1	109.5641	3.075	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.0700	0.000	1	109.5641	3.075	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	110.6520	0.000	1	110.6520	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.4215	2.376	4	108.4215	5.646	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	106.8275	1.043	2	106.8275	1.088	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CCO)	108.3550	0.000	1	108.0995	0.131	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.8440	0.000	1	108.0995	0.131	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<2>}	O(C[6]C[6]2H)(CCO)	108.2280	0.000	1	108.4340	0.088	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.5370	0.337	2	108.4340	0.088	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	107.8990	0.948	2	107.8990	0.898	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(CCO)	108.9690	0.000	1	108.6097	0.486	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4130	0.000	1	108.6097	0.486	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0285	0.086	2	108.6097	0.486	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	104.9430	0.000	1	104.9430	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	109.0240	2.076	2	109.0240	4.310	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	110.9450	0.000	1	110.9450	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.7875	0.450	2	108.0910	5.199	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.6980	0.000	1	108.0910	5.199	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.1470	0.000	1	107.1470	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.6520	0.000	1	109.6520	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.5150	0.000	1	108.5150	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.7688	1.338	10	109.7688	1.791	10	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	105.8120	1.423	2	105.8120	2.024	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.7650	2.677	2	107.7650	7.167	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.3455	3.617	2	108.3455	13.082	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.6537	2.116	7	108.6537	4.478	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5820	0.000	1	106.5820	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.4450	0.000	1	106.4450	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.3183	1.367	7	106.3183	1.868	7	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.0647	1.958	10	108.0228	3.433	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.0955	1.701	2	108.0228	3.433	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.4580	0.000	1	108.0228	3.433	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	107.7100	2.827	2	107.7100	7.992	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]O)	108.0460	2.977	4	108.0460	8.862	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9237	3.157	4	107.8387	5.327	11	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.7528	2.157	6	107.8387	5.327	11	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.0140	0.000	1	107.8387	5.327	11	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CNO)	110.8965	0.445	4	108.4409	6.427	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(CNO)	106.9632	1.791	4	108.4409	6.427	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CNO)	107.7888	2.754	6	108.4409	6.427	14	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(COO)	109.0240	3.093	2	109.0240	9.566	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	111.2430	0.000	1	108.4870	7.555	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7447	3.819	4	108.4870	7.555	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0136	2.307	8	108.4870	7.555	13	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CC[5,6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CC[5,6]O)	108.0010	2.263	4	108.0010	5.120	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6]O)	107.3310	3.753	2	107.3310	14.087	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.3437	1.986	24	107.3437	3.946	24	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.1375	2.927	2	107.1375	8.566	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.5715	2.960	4	108.5715	8.760	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.8185	0.534	2	106.8185	0.285	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)2(OC)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.4865	2.329	2	107.4865	5.422	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CNO)	104.3188	0.301	4	104.3188	0.091	4	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.4280	0.153	2	109.4280	0.023	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.9700	0.000	1	109.9700	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.0437	0.260	3	108.0437	0.068	3	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5]O)	107.4990	0.000	1	107.4990	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	109.1110	1.146	2	109.1110	1.312	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CClC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CClC)	110.0450	0.000	1	110.0450	0.000	1	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.5035	0.472	2	108.5035	0.222	2	108.2934	3.715	549	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(C[6]C[6]2)	107.3271	2.067	16	107.3271	4.271	16	107.3271	4.271	16	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9430	0.000	1	106.9430	0.000	1	110.7200	10.765	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	112.3530	0.000	1	112.3530	0.000	1	110.7200	10.765	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	112.8640	0.000	1	112.8640	0.000	1	110.7200	10.765	3	108.2536	4.000	913	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	109.9560	0.000	1	109.9560	0.000	1	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	107.5167	0.893	3	107.5167	0.798	3	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.7776	2.893	5	107.7776	8.369	5	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	108.8703	0.426	6	108.8703	0.181	6	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	104.7260	0.000	1	104.7260	0.000	1	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	106.1075	0.100	2	106.1075	0.010	2	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	106.4908	1.041	4	106.4908	1.084	4	107.6145	3.442	22	107.6145	3.442	22	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	108.0995	1.500	2	108.0995	2.249	2	106.9800	3.864	4	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	105.8605	2.081	2	105.8605	4.331	2	106.9800	3.864	4	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(CCO)	105.0670	0.000	1	105.0670	0.000	1	105.0670	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.1675	0.250	2	108.1675	0.062	2	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.8720	1.237	2	108.8720	1.531	2	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.8170	0.000	1	109.8170	0.000	1	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.4680	0.000	1	108.4680	0.000	1	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.1158	1.468	6	106.1158	2.156	6	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.6972	1.357	5	106.6972	1.841	5	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	109.3435	0.039	2	109.3435	0.002	2	107.4333	2.896	19	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.8287	2.541	7	107.8287	6.458	7	107.6966	4.912	9	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.2340	0.028	2	107.2340	0.001	2	107.6966	4.912	9	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.4380	0.000	1	107.4380	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CCO)	110.7000	0.716	2	110.7000	0.512	2	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.2830	1.269	4	105.2830	1.609	4	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.8020	0.000	1	108.8020	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5,6]C[6]H)(CCO)	111.9990	0.000	1	111.9990	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	110.7820	0.000	1	110.7820	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.3340	0.000	1	108.5243	1.266	3	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	109.1195	0.637	2	108.5243	1.266	3	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	107.1960	0.000	1	107.1960	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.1370	0.000	1	107.1370	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.0940	0.000	1	109.0940	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	109.7650	0.000	1	109.7650	0.000	1	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.2000	3.248	2	106.2000	10.552	2	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.1015	2.969	2	108.1015	8.816	2	108.0439	5.451	21	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9735	0.937	4	106.9735	0.877	4	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	109.4460	0.000	1	109.4460	0.000	1	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.7350	1.305	2	108.7350	1.704	2	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3340	0.000	1	107.3340	0.000	1	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	108.5350	0.000	1	108.5350	0.000	1	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	109.6160	0.000	1	109.6160	0.000	1	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.8100	0.208	2	104.8100	0.043	2	107.4929	2.943	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.6115	0.803	2	107.6115	0.644	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.2260	0.000	1	108.2260	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.9900	0.000	1	106.9900	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.4550	0.000	1	106.4550	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.7270	0.000	1	106.7270	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	105.4720	0.000	1	105.4720	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.1320	0.436	2	107.1320	0.190	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.4230	0.000	1	107.4230	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4610	0.000	1	108.4610	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.7310	0.000	1	104.7310	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.1700	0.000	1	108.1700	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	105.1830	0.959	2	105.1830	0.919	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	107.2715	0.194	2	107.2715	0.038	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.9250	0.000	1	109.9250	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.2140	0.000	1	106.2140	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.2370	0.165	2	104.2370	0.027	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	108.9995	0.821	2	108.9995	0.674	2	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	107.8660	0.000	1	107.8660	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.6740	0.000	1	108.6740	0.000	1	107.0481	2.458	25	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	106.6920	0.000	1	106.6920	0.000	1	106.6920	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3760	0.968	5	109.7904	1.160	8	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	110.4810	1.021	3	109.7904	1.160	8	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3520	0.000	1	106.3520	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	104.8810	0.000	1	104.8810	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.5120	0.337	2	106.5120	0.113	2	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	105.8610	0.887	2	105.8610	0.786	2	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3010	0.000	1	109.3010	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6,6]C[6]H)(CCO)	106.3900	0.440	2	106.3900	0.193	2	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	107.5480	0.000	1	108.9640	1.617	3	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	109.3360	0.000	1	108.9640	1.617	3	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	110.0080	0.000	1	108.9640	1.617	3	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(COO)	105.3470	0.318	2	105.3470	0.101	2	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	108.8628	1.468	4	108.8628	2.154	4	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(COO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(COO)	108.3060	0.000	1	108.3060	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	105.1740	0.000	1	105.1740	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	O(C[6]C[6,6]C[6]H)(CCO)	107.3980	0.000	1	107.3980	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	109.7530	0.000	1	109.7530	0.000	1	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	105.1350	1.448	2	105.1350	2.097	2	107.8225	4.078	32	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.1960	0.359	2	108.1960	0.129	2	106.1826	2.025	8	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	104.9180	0.379	2	104.9180	0.144	2	106.1826	2.025	8	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	105.8083	0.823	4	105.8083	0.678	4	106.1826	2.025	8	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.2190	0.000	1	107.2190	0.000	1	107.2190	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	108.7560	0.000	1	108.7560	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.6990	0.000	1	106.6990	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.0310	0.000	1	107.0310	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.4090	0.000	1	107.4090	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.7450	1.703	4	106.7450	2.899	4	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.8540	0.000	1	108.0563	1.704	3	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.6575	1.114	2	108.0563	1.704	3	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	109.9370	0.000	1	109.9370	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	111.2450	0.000	1	111.2450	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.0670	0.000	1	111.0670	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0510	0.000	1	108.0510	0.000	1	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.5270	0.055	2	109.5270	0.003	2	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8445	0.438	2	107.8445	0.192	2	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.1990	4.329	2	106.1990	18.739	2	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)2(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.9390	3.386	2	107.9390	11.462	2	108.0158	3.966	23	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7220	0.000	1	108.7220	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	O(C[6]C[6]2H)(CCO)	106.9970	0.000	1	106.9970	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.1940	0.000	1	107.1940	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	106.5030	0.000	1	106.5030	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CNO)	107.4725	0.209	2	107.4725	0.044	2	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.4755	2.286	4	108.8361	6.447	7	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.6503	1.692	3	108.8361	6.447	7	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.1560	0.000	1	108.1560	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.0880	1.813	2	105.0880	3.287	2	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.4120	0.000	1	108.4120	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0930	0.000	1	107.9823	1.799	3	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5890	0.000	1	107.9823	1.799	3	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	109.2650	0.000	1	107.9823	1.799	3	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	107.6840	2.711	2	107.6840	7.350	2	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.7930	0.000	1	107.7930	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.6375	0.549	2	107.6375	0.302	2	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.9307	0.967	3	109.9307	0.936	3	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(COO)	107.8240	0.000	1	107.8240	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6610	0.000	1	107.6610	0.000	1	108.0206	3.241	30	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CCO)	105.7350	0.000	1	105.7350	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.2940	0.000	1	107.2940	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	104.7450	0.047	2	104.7450	0.002	2	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.1635	0.426	2	106.1635	0.182	2	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.2760	0.000	1	109.2760	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.1695	1.418	2	110.1695	2.010	2	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.5910	0.000	1	110.5910	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]O)	109.7080	0.000	1	109.7080	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	106.9890	0.000	1	106.9890	0.000	1	107.6458	5.086	12	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:B-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(BC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(BC[6a]C)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.6675	3.067	2	109.6675	9.405	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	111.4245	0.016	2	111.4245	0.000	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	112.4520	0.000	1	112.4520	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.2480	0.000	1	109.2480	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.8090	0.000	1	107.8090	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.0190	0.000	1	106.0190	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.2060	0.000	1	110.2060	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.7920	1.179	2	108.3828	3.033	6	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6783	1.614	4	108.3828	3.033	6	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	105.7600	0.000	1	105.7600	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.9320	0.000	1	109.9320	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	107.0028	1.158	12	107.1011	1.215	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	O(C[6]C[6]2H)(CCO)	107.6905	0.489	2	107.1011	1.215	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	108.0710	0.000	1	109.1015	2.124	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	110.1320	0.000	1	109.1015	2.124	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.8019	1.936	12	106.8106	3.340	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.8625	1.479	2	106.8106	3.340	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9060	0.000	1	105.5009	3.909	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0460	0.000	1	105.5009	3.909	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	104.8425	1.806	6	105.5009	3.909	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	104.1290	1.833	2	104.1290	3.359	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.6060	0.000	1	108.6060	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.7908	1.537	12	107.7908	2.362	12	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.3680	0.000	1	107.3680	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CCO)	108.0000	0.000	1	108.0000	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CCO)	108.6060	0.000	1	108.6060	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.3390	0.000	1	110.3390	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	109.0200	1.841	2	109.0200	3.390	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	106.2340	0.000	1	106.2340	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.6350	0.000	1	106.6350	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9845	0.500	2	107.9845	0.250	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	110.2730	1.456	4	110.2730	2.120	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	107.4793	2.993	3	107.4793	8.956	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(CCO)	109.7790	0.310	2	109.7790	0.096	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.2295	3.560	2	109.2295	12.676	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.9810	0.000	1	107.9810	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.9950	0.000	1	105.9950	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.3100	0.000	1	109.3100	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.8535	4.284	2	108.8535	18.356	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[3]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]H)	108.8190	0.000	1	108.8190	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.0246	1.120	5	106.0246	1.254	5	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	107.6900	0.000	1	107.6900	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.2714	1.265	7	108.2714	1.599	7	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	107.0650	0.000	1	107.0650	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.3410	1.635	2	108.3410	2.673	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	105.8870	0.000	1	105.8870	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.5053	0.622	3	108.5053	0.387	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.8137	1.624	4	107.8137	2.638	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.4760	0.000	1	108.3493	2.716	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.9960	0.000	1	108.3493	2.716	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.5760	0.000	1	108.3493	2.716	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CCO)	107.6720	0.000	1	107.6720	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1210	0.000	1	108.1210	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	109.6960	0.000	1	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	105.6110	0.000	1	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	110.6820	0.000	1	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	110.9020	1.483	4	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	110.1120	1.477	8	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(CCO)	109.4190	0.733	2	109.9606	2.890	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	106.5480	0.000	1	106.5480	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	107.0540	0.000	1	107.0540	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]O)	109.3720	0.000	1	109.3720	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.3645	0.692	2	106.3645	0.479	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	O(C[6]C[6]2H)(CCO)	107.2960	0.000	1	107.2960	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7070	0.000	1	108.7070	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.5625	0.728	2	107.5625	0.529	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2510	0.000	1	108.2510	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2230	0.000	1	107.2230	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.4160	0.000	1	107.4160	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1695	1.897	4	108.1695	3.599	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.7390	0.167	2	109.7390	0.028	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.7870	0.649	2	108.7870	0.421	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.5280	0.000	1	109.5280	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.9830	0.000	1	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2690	0.000	1	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.6063	1.336	4	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.7550	0.000	1	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.8628	1.496	8	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.2830	0.477	2	109.0529	1.999	17	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.3090	0.000	1	108.3090	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.5760	0.529	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6350	0.000	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.3840	0.310	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.8090	0.000	1	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.4035	0.615	4	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.8426	0.781	11	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6149	1.606	26	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2085	1.142	22	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.2630	1.355	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0486	1.610	57	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0710	0.000	1	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2465	0.175	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.7097	1.489	10	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.2865	0.149	2	108.0763	2.209	144	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.3440	0.752	2	108.4988	3.913	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.9516	2.388	5	108.4988	3.913	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.5440	0.000	1	108.4988	3.913	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	104.9840	0.000	1	104.9840	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.0350	0.000	1	107.0350	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.7385	2.254	2	107.7385	5.078	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.8770	0.000	1	107.1575	5.913	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	105.4380	0.000	1	107.1575	5.913	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	O(C[6]C[6]2H)(CCO)	107.1250	0.000	1	107.1250	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.9380	0.000	1	107.6855	2.694	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	O(C[6]C[6]2H)(CCO)	106.4660	0.000	1	107.6855	2.694	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.1690	0.994	2	107.6855	2.694	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.0970	0.000	1	110.0970	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.5160	0.000	1	106.5160	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.8180	0.000	1	107.0576	1.642	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	106.9010	0.000	1	107.0576	1.642	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.0250	0.000	1	107.0576	1.642	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.0192	1.361	6	107.0576	1.642	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.7894	1.467	5	107.0576	1.642	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.9640	0.000	1	107.9640	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	104.2150	0.000	2	104.2150	0.000	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.1380	0.348	2	107.7797	1.320	31	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2785	0.799	11	107.7797	1.320	31	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0587	0.914	10	107.7797	1.320	31	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.9720	0.884	2	107.7797	1.320	31	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.3832	1.445	6	107.7797	1.320	31	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.1007	1.144	3	108.1007	1.309	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	109.3438	0.839	4	109.3438	0.703	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.5650	0.000	1	108.5650	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.1265	2.183	4	108.0400	1.997	62	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.0035	1.387	54	108.0400	1.997	62	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.4472	1.253	4	108.0400	1.997	62	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5]O)	106.8210	0.000	1	106.8210	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	106.5870	0.000	1	107.6703	3.564	9	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.8058	1.971	8	107.6703	3.564	9	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.1005	0.774	2	108.1005	0.600	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9870	1.719	22	108.0484	3.055	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.7240	2.690	2	108.0484	3.055	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.0380	0.000	1	108.0380	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.2980	0.000	1	110.2980	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	104.2040	0.000	1	106.6820	6.439	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5670	0.000	1	106.6820	6.439	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.2750	0.000	1	106.6820	6.439	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	106.6350	1.028	2	106.6350	1.057	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.9930	1.052	2	107.9930	1.107	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]2H)(CCO)	109.4750	0.000	1	109.4750	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.1370	0.000	1	107.1370	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]2H)(CCO)	106.7970	0.000	1	106.7970	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5a]O)	105.6420	0.000	1	105.6420	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.5190	2.605	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.3840	0.000	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	111.2245	0.059	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	105.9470	0.000	1	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.0820	1.405	4	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	110.3873	1.851	11	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.6865	1.711	26	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.8790	1.503	22	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.8340	2.068	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.6393	1.431	55	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.3100	0.000	1	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	112.5340	0.163	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.3551	1.755	10	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.2400	0.086	2	108.7973	3.023	142	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	110.3195	1.945	2	109.2422	2.591	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.7314	1.625	5	109.2422	2.591	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	109.6420	0.000	1	109.2422	2.591	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.3470	0.000	1	106.3470	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	110.5370	0.000	1	110.5370	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.8770	1.671	4	106.8770	2.792	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5]O)	110.3020	0.000	1	110.3020	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	109.7150	0.010	2	109.7150	0.000	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	110.0370	0.000	1	108.2400	6.458	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.4430	0.000	1	108.2400	6.458	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.4070	0.000	1	107.4070	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.3600	0.000	1	108.1130	0.392	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.5940	0.000	1	108.1130	0.392	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.2490	0.899	2	108.1130	0.392	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.6620	0.000	1	108.4727	1.424	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.6560	0.000	1	108.4727	1.424	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.0940	0.000	1	108.4727	1.424	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.3640	1.295	6	108.4727	1.424	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.0044	0.476	5	108.4727	1.424	14	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.2210	0.000	2	108.2210	0.000	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	105.6285	0.414	2	107.5600	2.120	30	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.4539	1.075	11	107.5600	2.120	30	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.1263	1.491	10	107.5600	2.120	30	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.9420	0.000	1	107.5600	2.120	30	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.2240	1.809	6	107.5600	2.120	30	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.5685	2.146	4	107.9063	2.773	64	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.8789	1.643	56	107.9063	2.773	64	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.6285	1.846	4	107.9063	2.773	64	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5]O)	105.9110	0.000	1	105.9110	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.2810	1.779	8	107.2810	3.166	8	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.4455	2.344	2	108.3937	6.066	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.2900	0.000	1	108.3937	6.066	3	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5a]O)	110.8460	0.000	1	110.8460	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	111.3170	0.000	1	111.3170	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.2639	1.803	22	107.1293	3.272	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	105.6485	1.490	2	107.1293	3.272	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.5205	2.261	2	107.5205	5.110	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.5790	0.124	2	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.0025	1.811	2	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.6870	0.000	1	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.7070	0.000	1	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	110.1880	0.000	1	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.4864	1.903	16	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.9860	0.000	1	108.5630	3.244	24	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5,5,6]O)	108.8480	2.551	2	108.8480	6.509	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	108.4977	1.866	23	108.4977	3.483	23	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.6068	2.032	4	107.6068	4.129	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OS)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	107.1773	1.028	4	107.1773	1.057	4	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.0670	0.000	1	109.0670	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	108.0863	2.287	9	108.0863	5.232	9	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.6048	2.576	5	107.8790	4.666	7	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	108.5645	0.368	2	107.8790	4.666	7	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.5795	5.192	2	107.5795	26.960	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	109.0540	0.520	2	109.0540	0.271	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	106.3330	0.000	1	106.3330	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	107.3450	1.976	2	107.3450	3.903	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.3520	0.000	1	109.3520	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.3877	1.148	9	108.3877	1.318	9	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.3418	0.973	5	109.3501	0.678	7	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	109.3710	0.532	2	109.3501	0.678	7	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	105.9660	0.000	1	105.9660	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.3775	2.637	2	107.3775	6.953	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.9115	0.245	2	106.9115	0.060	2	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	103.9460	0.000	1	103.9460	0.000	1	108.1248	3.019	934	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.0010	0.000	1	108.0010	0.000	1	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	108.8460	0.000	1	108.8460	0.000	1	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.0195	0.110	2	108.0195	0.012	2	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H)	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	111.2675	0.182	2	111.2675	0.033	2	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(SC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.8460	1.007	2	110.8460	1.014	2	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(SC[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(SC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	111.4955	0.194	2	111.4955	0.038	2	110.0104	2.598	10	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	109.1340	0.000	1	109.1340	0.000	1	109.1340	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]P[6]H)(CCO)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]P[6]H)(CCO)	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	108.0523	3.183	1150	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-3:	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.1090	0.000	1	107.1090	0.000	1	106.7600	0.244	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	106.4110	0.000	1	106.4110	0.000	1	106.7600	0.244	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	108.4710	0.000	1	108.4710	0.000	1	109.7470	3.256	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	111.0230	0.000	1	111.0230	0.000	1	109.7470	3.256	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.8480	0.000	1	108.4970	0.842	2	107.9387	1.356	3	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.1460	0.000	1	108.4970	0.842	2	107.9387	1.356	3	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.8220	0.000	1	106.8220	0.000	1	107.9387	1.356	3	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.5270	0.000	1	107.5270	0.000	1	107.5270	0.000	1	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(CSS)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CSS)	104.8170	0.000	1	104.8170	0.000	1	104.8975	0.013	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	104.9780	0.000	1	104.9780	0.000	1	104.8975	0.013	2	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.4098	0.589	4	107.4098	0.346	4	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.9390	0.000	1	106.9390	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	O(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	110.3880	0.000	1	110.3880	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.2810	0.000	1	107.2810	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.0490	0.000	1	106.0490	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.0220	0.000	1	108.0220	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	107.8980	0.000	1	107.8980	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.6069	1.837	8	106.6069	3.373	8	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NMoC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	106.6700	0.000	1	106.6700	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	104.6840	0.000	1	104.6840	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	105.2940	0.000	1	105.2940	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	110.6920	0.000	1	110.6920	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.3600	0.000	1	108.3600	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	105.8690	0.000	1	105.8690	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	109.7100	0.000	1	109.7100	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]O)	109.5460	0.000	1	109.5460	0.000	1	107.3037	3.098	26	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	106.5920	0.000	1	106.5920	0.000	1	108.1060	3.501	3	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6]2H)(CCO)	108.8630	1.888	2	108.8630	3.564	2	108.1060	3.501	3	107.4090	2.958	41	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	106.0061	2.140	9	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	106.1495	1.534	4	105.6833	1.374	8	105.6833	1.374	8	106.0061	2.140	9	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	105.2170	0.522	4	105.6833	1.374	8	105.6833	1.374	8	106.0061	2.140	9	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	112.3510	0.000	1	112.3510	0.000	1	111.5010	1.445	2	111.5010	1.445	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	110.6510	0.000	1	110.6510	0.000	1	111.5010	1.445	2	111.5010	1.445	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	106.6390	0.581	2	106.6390	0.338	2	106.8448	0.638	10	106.8448	0.638	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	106.0340	0.421	2	106.0340	0.178	2	106.8448	0.638	10	106.8448	0.638	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	107.5175	0.937	2	107.5175	0.878	2	106.8448	0.638	10	106.8448	0.638	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	107.0168	0.801	4	107.0168	0.641	4	106.8448	0.638	10	106.8448	0.638	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(NC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(NC)	106.4590	0.604	2	106.4590	0.365	2	106.4590	0.365	2	106.4590	0.365	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	O(C[6]C[3,6]C[6]H)(CCO)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.6430	3.586	2	109.6430	12.863	2	108.8291	4.824	11	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.7360	0.000	1	107.7360	0.000	1	108.8291	4.824	11	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.4743	1.828	6	108.4743	3.342	6	108.8291	4.824	11	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.9690	0.000	1	106.9690	0.000	1	108.8291	4.824	11	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)2(CH3)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)2(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	112.2830	0.000	1	112.2830	0.000	1	108.8291	4.824	11	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	O(C[6]C[6]2H)(CCO)	106.4480	0.706	2	106.4480	0.498	2	108.3120	10.672	3	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CSS)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6]2H)(CSS)	112.0400	0.000	1	112.0400	0.000	1	108.3120	10.672	3	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	110.3310	0.000	1	110.3310	0.000	1	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CCO)	106.3900	0.000	1	106.3900	0.000	1	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.2730	0.000	1	108.6453	4.451	3	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	109.8315	0.678	2	108.6453	4.451	3	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	105.0050	0.000	1	105.2840	0.156	2	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	105.5630	0.000	1	105.2840	0.156	2	107.6036	5.331	7	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C-3:	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.8310	0.000	1	106.8310	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	113.6140	0.000	1	113.6140	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	107.6020	0.000	1	107.6020	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.7440	0.000	1	108.7440	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	109.0690	0.000	1	109.0690	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.2215	0.990	10	107.2215	0.981	10	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]O)	108.3920	0.000	1	108.3920	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[5,5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5,5]O)	108.3810	0.000	2	108.3810	0.000	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5]O)	107.7387	0.924	10	107.7387	0.853	10	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[5a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	109.6980	0.000	1	109.6980	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6]Cr)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]Cr)	108.9250	0.000	1	108.9250	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]O)	107.3244	0.839	9	107.3244	0.705	9	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.6395	0.595	2	106.6395	0.354	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CNO)	107.7118	1.752	6	107.7118	3.070	6	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5]O)	108.2460	0.208	2	108.2460	0.043	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	107.2395	0.633	4	107.2395	0.400	4	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(COO)	107.1788	0.689	14	107.1788	0.475	14	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(COS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(COS)	106.3570	0.000	1	106.3570	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	109.5510	0.000	1	109.5510	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	110.6230	0.000	1	110.6230	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.9564	1.389	8	108.9564	1.930	8	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]O)	110.5200	0.000	1	110.5200	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]O)	108.5477	0.328	3	108.5477	0.108	3	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.9570	0.338	2	108.9570	0.114	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5]O)	108.4510	0.000	1	108.4485	0.000	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CN[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5]O)	108.4460	0.000	1	108.4485	0.000	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	109.3970	0.519	2	109.5297	0.187	3	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(CN[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	109.7950	0.000	1	109.5297	0.187	3	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	106.5755	0.049	2	106.5755	0.002	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.2490	0.000	1	107.2490	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CNO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CNO)	109.0040	0.000	1	109.0040	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	111.9905	0.479	2	111.9905	0.229	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5,5,6]O)	109.4800	1.598	2	109.4800	2.554	2	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.8170	0.000	1	106.8170	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	108.3270	0.000	1	108.3270	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.9190	0.000	1	108.9190	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	108.3860	0.000	1	108.3860	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	107.3810	0.000	1	107.3810	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.3720	0.000	1	108.3720	0.000	1	108.0481	2.045	103	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.8140	1.257	2	107.8140	1.581	2	107.8140	1.581	2	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(PC[6a]2O)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	107.1980	0.000	1	107.1980	0.000	1	107.1980	0.000	1	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	106.3915	0.999	2	106.3915	0.998	2	106.3915	0.998	2	108.0879	2.550	135	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6]2H)(CCO)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	103.6490	0.000	1	103.6490	0.000	1	106.2424	3.464	5	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]O)	108.3380	0.000	1	108.3380	0.000	1	106.2424	3.464	5	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	106.3810	0.000	1	106.9775	0.712	2	106.2424	3.464	5	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.5740	0.000	1	106.9775	0.712	2	106.2424	3.464	5	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(CC[3]O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]O)	105.2700	0.000	1	105.2700	0.000	1	106.2424	3.464	5	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.2520	0.000	1	106.2520	0.000	1	106.8392	0.231	4	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.3020	0.000	1	107.3020	0.000	1	106.8392	0.231	4	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.1540	0.000	1	107.1540	0.000	1	106.8392	0.231	4	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6490	0.000	1	106.6490	0.000	1	106.8392	0.231	4	106.7355	2.224	10	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.6353	2.565	7	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	105.5920	1.061	2	105.5920	1.125	2	107.5768	3.768	5	107.6353	2.565	7	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.5400	0.191	2	108.5400	0.036	2	107.5768	3.768	5	107.6353	2.565	7	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	109.6200	0.000	1	109.6200	0.000	1	107.5768	3.768	5	107.6353	2.565	7	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	O(C[6]C[6]2H)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	107.6353	2.565	7	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	111.6690	0.232	2	111.6690	0.054	2	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.3655	1.781	2	108.5037	1.644	3	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.7800	0.000	1	108.5037	1.644	3	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	O(C[6]C[6,6]C[6]H)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	108.5860	0.000	1	108.5860	0.000	1	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CNO)	109.0920	0.000	1	109.0920	0.000	1	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(CNO)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CNO)	111.5100	0.000	1	111.5100	0.000	1	109.7546	2.893	8	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	108.6240	0.000	1	108.0194	0.842	44	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.0717	1.150	9	108.0194	0.842	44	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.8963	0.660	3	108.0194	0.842	44	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	108.0710	0.000	1	108.0194	0.842	44	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	107.9942	0.916	30	108.0194	0.842	44	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.2952	0.683	6	107.6797	1.152	13	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	106.7650	0.000	1	107.6797	1.152	13	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.2167	1.268	6	107.6797	1.152	13	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(COO)	105.2840	0.000	1	105.2840	0.000	1	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	108.1800	0.000	1	108.1800	0.000	1	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	107.4210	0.129	2	107.4210	0.017	2	107.8852	0.978	61	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	112.8470	0.000	1	112.8470	0.000	1	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	109.1950	0.000	1	109.1950	0.000	1	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	110.3340	0.000	1	110.3340	0.000	1	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	107.0516	0.802	7	107.0516	0.643	7	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	111.4560	0.000	1	109.0630	11.453	2	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	O(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	106.6700	0.000	1	109.0630	11.453	2	108.3219	4.818	12	108.1786	2.045	83	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(NN)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2N)(CCO)	108.1755	3.574	2	108.1755	12.777	2	109.5689	21.765	8	109.5689	21.765	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(NO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2N)(CC[6a]O)	110.1310	5.807	4	110.0333	26.880	6	109.5689	21.765	8	109.5689	21.765	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(NO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	O(C[6]C[6]2N)(CC[6a]O)	109.8380	5.756	2	110.0333	26.880	6	109.5689	21.765	8	109.5689	21.765	8	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	O(C[6]C[6,6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]O)(CCO)	108.3900	0.088	2	108.3900	0.008	2	108.3900	0.008	2	108.3900	0.008	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	108.5298	3.473	4	108.5298	12.060	4	108.5298	12.060	4	108.5298	12.060	4	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NO)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	O(C[6]C[6]2N)(CC[6a]O)	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2N)(CC[6a]O)	109.8475	6.872	2	109.8475	47.229	2	109.8475	47.229	2	109.8475	47.229	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:4:	4:3:1:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	101.4450	0.000	1	101.4450	0.000	1	101.4450	0.000	1	101.4450	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	102.0210	0.000	1	102.0210	0.000	1	106.0040	31.729	2	106.0040	31.729	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:1:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	109.9870	0.000	1	109.9870	0.000	1	106.0040	31.729	2	106.0040	31.729	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:4:1:	3:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2C)	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:3:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-4:N-3:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]O[6]HH)2(NNO)(OC)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O(C[6]C[6]2N)(CCO)	C[6](C[6]O[6]HH)2(NNO)(OC){1|C<4>}	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2N)(CCO)	109.8845	4.014	2	109.8845	16.114	2	109.8845	16.114	2	109.8845	16.114	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(CCO)	102.4970	0.000	1	102.4970	0.000	1	102.4970	0.000	1	102.4970	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2C)(CCO)	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(CCO)	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:3:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	O(C[6]C[5]C[6]2)(CCO)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(CCO)	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(O)	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CHHO)(ON)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(NC)	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(NC)	107.3990	5.199	2	107.3990	27.026	2	107.3990	27.026	2	107.3990	27.026	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(CCO)	108.5940	0.000	1	108.5940	0.000	1	109.5255	1.735	2	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(CCO)	110.4570	0.000	1	110.4570	0.000	1	109.5255	1.735	2	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[5]C[6]2)(CCO)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5]C[6]2)(CCO)	101.0310	0.000	1	101.0310	0.000	1	101.0310	0.000	1	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	O(C[6]C[6,6]C[6]C)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]C)(CC[6a]O)	106.4750	0.000	1	106.4750	0.000	1	106.4750	0.000	1	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(CCO)	113.2690	0.000	1	113.2690	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(CCO)	111.5520	0.000	1	111.5520	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2C)(CCO)	99.4587	0.000	1	104.7104	55.160	2	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(CCO)	109.9620	0.000	1	104.7104	55.160	2	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(CHO)	108.9210	0.000	1	108.9210	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CC[6a]O)	111.7320	0.000	1	111.7675	0.003	2	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(CC[6a]O)	111.8030	0.000	1	111.7675	0.003	2	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(COO)	110.3630	0.000	1	110.3630	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2C)(CCO)	110.9870	0.000	1	110.9870	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CF3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(CCO)	105.2250	0.000	1	105.2250	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CF3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(CCO)	115.0890	0.000	1	115.0890	0.000	1	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)2(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]HH)2(CH3)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(CC[6a]O)	107.0040	7.060	2	107.0040	49.840	2	109.4131	20.396	13	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(CC[6a]O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(CC[6a]O)	108.0000	5.632	4	108.0000	31.716	4	108.0000	31.716	4	108.6156	20.759	21	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(CCO)	111.8760	0.000	1	113.5560	5.645	2	113.5560	5.645	2	111.5780	14.560	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(CCO)	115.2360	0.000	1	113.5560	5.645	2	113.5560	5.645	2	111.5780	14.560	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-3:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(CCO)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	111.5780	14.560	3	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6,6]C[6]C)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(CNO)	100.0260	0.000	1	100.0260	0.000	1	100.0260	0.000	1	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(CCO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(CCO)	101.0220	0.000	1	101.0220	0.000	1	100.4702	0.609	2	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	O(C[6]C[6]2C)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(CHO)	99.9185	0.000	1	99.9185	0.000	1	100.4702	0.609	2	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CC[6a]O)	107.9140	0.000	1	107.9140	0.000	1	104.3087	10.954	3	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(CC[6a]O)	103.6040	0.000	1	103.6040	0.000	1	104.3087	10.954	3	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(COO)	101.4080	0.000	1	101.4080	0.000	1	104.3087	10.954	3	102.3154	9.298	6	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP2_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:3:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC)	O(C[6]C[6]3)(CC[6a]O)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OC){3|C<4>,8|H<1>}	O(C[6]C[6]3)(CC[6a]O)	106.4355	0.050	2	106.4355	0.003	2	106.4355	0.003	2	106.4355	0.003	2	108.0801	3.895	3428	108.1761	4.449	3991
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	O(C[3x6]C[3x6]C[6,6]2)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[3x6]C[3x6]C[6,6]2)(H)	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H)	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,6|H<1>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:3:2:	4:2:4:2:	4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[3x6]-4:O[6]-2:C[6]-4:O[6]-2:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH)	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	108.4960	1.780	2	108.4960	3.170	2	108.4960	3.170	2	108.4960	3.170	2	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-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]O)(OH)	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	105.0670	0.000	1	105.0670	0.000	1	105.0670	0.000	1	105.0670	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	111.9265	0.351	2	111.9265	0.124	2	111.9265	0.124	2	111.9265	0.124	2	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.8190	0.000	1	109.8190	0.000	1	109.6830	0.037	2	109.0093	1.380	3	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.5470	0.000	1	109.5470	0.000	1	109.6830	0.037	2	109.0093	1.380	3	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	109.0093	1.380	3	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	4:3:4:3:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6]-3:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|N<3>,5|C<4>,8|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	110.0105	0.240	2	110.0105	0.057	2	110.0105	0.057	2	110.0105	0.057	2	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[3x6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	C[3x6](C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,4|C<4>,6|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	109.8613	10.437	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:2:4:2:	4:4:2:4:	4:1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH)	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	109.3286	2.485	8	109.3286	6.174	8	109.3286	6.174	8	109.3286	6.174	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:2:4:2:	4:4:2:4:	4:4:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:C-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC)	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC){1|C<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]O[6,6]C[6]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	104.7670	0.000	1	104.7670	0.000	1	104.7670	0.000	1	104.7670	0.000	1	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:2:2:	3:4:4:2:	4:1:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	114.8555	0.026	2	114.8555	0.001	2	114.8555	0.001	2	114.8555	0.001	2	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	O(C[3x6]C[4x6]2C)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	O(C[3x6]C[4x6]2C)(H)	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	C[4x6](C[3x6]C[6,6]C[6]O)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){10|H<1>,1|O<1>,5|C<4>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	O(C[3x6]C[4x6]2C)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	O(C[3x6]C[4x6]2C)(H)	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	O(C[3x6]C[4x6]2C[6])(H)	112.5990	0.000	1	111.8020	1.270	2	111.8020	1.270	2	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[6x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H)	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6]O)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	O(C[3x6]C[4x6]2C[6])(H)	111.0050	0.000	1	111.8020	1.270	2	111.8020	1.270	2	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	108.6800	0.000	1	108.7596	0.609	5	108.7596	0.609	5	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	109.2270	0.000	1	108.7596	0.609	5	108.7596	0.609	5	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	108.6303	1.039	3	108.7596	0.609	5	108.7596	0.609	5	109.7204	2.485	8	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC)	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,8|H<1>}	O(C[3x6]C[4x6]2C[6])(H)	110.3050	0.000	1	110.3050	0.000	1	106.9645	22.318	2	106.0728	11.605	6	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	O(C[3x6]C[4x6]2C[6])(H)	103.6240	0.000	1	103.6240	0.000	1	106.9645	22.318	2	106.0728	11.605	6	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	O(C[3x6]C[4x6]C[6,6]2)(H)	104.2795	0.030	2	104.2795	0.001	2	103.9747	0.279	3	106.0728	11.605	6	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	O(C[3x6]C[4x6]C[6,6]2)(H)	103.3650	0.000	1	103.3650	0.000	1	103.9747	0.279	3	106.0728	11.605	6	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	106.0728	11.605	6	108.8775	10.143	28	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[5x6]	O	4:3:2:2:	4:3:3:4:	4:4:	C[5x6]-4:C[6,6]-3:O[6]-2:O-2:	C[3x6]-4:C[3x6]-3:C[6,6]-3:C[6,6]-4:	C[3x6]-4:C-4:	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC)	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H)	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	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>}	C[5x6](C[3x6]C[6,6]O[6]O)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(C[6,6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	3:4:3:2:	4:4:1:1:	4:4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	112.2000	0.143	2	112.2000	0.020	2	112.2000	0.020	2	112.2000	0.020	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:2:2:	4:4:4:2:	4:4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:Si-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	O(C[3x6]C[6,6]2O[6,6])(SiC3)	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>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[3x6]C[6,6]2O[6,6])(SiC3)	112.3615	1.119	2	112.3615	1.253	2	112.3615	1.253	2	112.3615	1.253	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[3x6]C[6,6]3)(CH3)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	110.9765	18.319	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(SiC3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(OSi){2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[3x6]C[6,6]3)(SiC3)	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	110.9765	18.319	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[3x6]C[6,6]3)(H)	111.8040	2.319	9	111.8040	5.379	9	111.8040	5.379	9	111.8040	5.379	9	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:3:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CCO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[3x6]C[6,6]3)(H)	112.2110	4.138	2	112.2110	17.123	2	112.2110	17.123	2	110.9213	13.551	3	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:3:3:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	O(C[3x6]C[6,6]2N[6,6])(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[3x6]C[6,6]2N[6,6])(H)	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	110.9213	13.551	3	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[3x6]C[5,4x6]O[6]O)(H)2{1|C<3>,2|N<3>,3|C<4>,5|H<1>}	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{1|C<3>,4|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	108.5580	0.256	2	109.1393	1.047	3	109.1393	1.047	3	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|C<3>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	110.3020	0.000	1	109.1393	1.047	3	109.1393	1.047	3	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[3x6]C[6,6]2O[6,6])(H)	111.1962	1.623	4	111.1962	2.635	4	111.1962	2.635	4	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{5|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	112.8700	0.000	1	112.8700	0.000	1	111.5463	5.173	3	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	110.8845	2.778	2	110.8845	7.719	2	111.5463	5.173	3	110.3650	3.527	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|C<2>}	O(C[3x6]C[6,6]3)(CH3)	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	115.2027	0.436	3	115.2027	0.190	3	114.6155	0.357	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	114.0190	0.928	2	114.3953	0.252	8	114.6155	0.357	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	114.5207	0.325	6	114.3953	0.252	8	114.6155	0.357	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	107.7650	0.170	3	107.7650	0.029	3	107.5709	0.068	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	107.5800	0.088	2	107.4981	0.067	8	107.5709	0.068	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	107.4708	0.298	6	107.4981	0.067	8	107.5709	0.068	11	111.2434	13.119	23	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	111.6010	0.530	2	111.6010	0.281	2	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	111.3270	3.145	2	109.5609	8.921	9	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	109.8187	2.874	3	109.5609	8.921	9	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	113.4150	0.000	1	109.5609	8.921	9	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.3480	0.117	2	109.5609	8.921	9	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	107.8270	0.000	1	109.5609	8.921	9	109.9318	7.846	11	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(H)	111.7293	1.503	4	111.7293	2.260	4	111.7293	2.260	4	110.1228	6.582	17	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	O(C[3x6]C[6,6]2N[6,6])(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	O(C[3x6]C[6,6]2N[6,6])(CH3)	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:2:2:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|C<4>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	103.8010	0.000	1	103.8010	0.000	1	103.8010	0.000	1	103.8010	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H)	O(C[3x6]C[6,6]2N[6,6])(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	O(C[3x6]C[6,6]2N[6,6])(CH3)	111.7765	0.186	2	111.7765	0.035	2	111.7765	0.035	2	111.7765	0.035	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H)	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[3x6]C[6,6]2O[6,6])(H)	111.1735	2.097	2	111.1735	4.396	2	111.3787	4.204	4	111.3787	4.204	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	113.5900	0.000	1	113.5900	0.000	1	111.3787	4.204	4	111.3787	4.204	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	109.5780	0.000	1	109.5780	0.000	1	111.3787	4.204	4	111.3787	4.204	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2{4|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(H)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	O(C[3x6]C[6,6]3)(CH3)	105.0230	0.000	1	105.0230	0.000	1	107.9224	12.298	5	107.9224	12.298	5	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	O(C[3x6]C[6,6]3)(CH3)	111.3470	0.000	1	108.6472	12.894	4	107.9224	12.298	5	107.9224	12.298	5	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	O(C[3x6]C[6,6]3)(CH3)	107.7473	3.806	3	108.6472	12.894	4	107.9224	12.298	5	107.9224	12.298	5	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.1070	2.298	2	109.1070	5.281	2	109.1070	5.281	2	109.1070	5.281	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	O(C[3x6]C[6,6]3)(CH3)	104.1700	0.000	1	104.1700	0.000	1	104.1700	0.000	1	104.1700	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	105.8190	0.000	1	105.8190	0.000	1	105.8190	0.000	1	109.3940	25.561	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	109.3940	25.561	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:3:2:2:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	109.4805	6.926	2	109.4805	47.971	2	109.4805	47.971	2	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.3350	0.000	1	114.4170	0.013	2	114.2398	1.304	4	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.4990	0.000	1	114.4170	0.013	2	114.2398	1.304	4	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|S<2>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.0625	1.942	2	114.0625	3.773	2	114.2398	1.304	4	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	114.9260	0.000	1	114.9260	0.000	1	111.4552	15.304	6	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	106.8210	0.000	1	109.7980	14.505	4	111.4552	15.304	6	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	O(C[3x6]C[6,6]3)(CH3)	109.8145	5.098	2	109.7980	14.505	4	111.4552	15.304	6	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	112.7420	0.000	1	109.7980	14.505	4	111.4552	15.304	6	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<3>,2|N<3>,4|H<1>}	O(C[3x6]C[6,6]3)(CH3)	114.6130	0.000	1	114.6130	0.000	1	111.4552	15.304	6	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	O(C[3x6]C[6,6]3)(CH3)	114.5840	0.000	1	114.5840	0.000	1	114.4330	0.046	2	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	114.2820	0.000	1	114.2820	0.000	1	114.4330	0.046	2	112.4295	12.351	15	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(H)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	108.4155	15.252	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	O(C[3x6]C[6,6]3)(CH3)	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	108.4155	15.252	2	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:2:2:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[3x6]-4:C-2:C-2:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2O)(CN)2{1|C<4>,3|C<3>,4|H<1>}	O(C[3x6]C[6,6]3)(CH3)	104.4750	0.000	1	104.4750	0.000	1	104.4750	0.000	1	104.4750	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	106.2610	0.000	1	106.2610	0.000	1	110.8533	15.819	3	110.8533	15.819	3	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	113.1495	0.054	2	113.1495	0.003	2	110.8533	15.819	3	110.8533	15.819	3	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:3:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	O(C[3x6]C[4x6]C[6,6]2)(H)	108.7820	0.013	2	108.9153	0.053	3	108.9153	0.053	3	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	O(C[3x6]C[4x6]C[6,6]2)(H)	109.1820	0.000	1	108.9153	0.053	3	108.9153	0.053	3	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	O(C[3x6]C[6,6]3)(H)	109.9115	2.142	2	109.9115	4.587	2	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2{5|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	107.9833	1.250	3	107.9833	1.563	3	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	108.1160	3.164	2	107.5700	5.899	3	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	106.4780	0.000	1	107.5700	5.899	3	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	109.3983	2.389	3	109.9648	2.244	13	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	110.3815	0.272	2	109.9648	2.244	13	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	110.0730	1.416	8	109.9648	2.244	13	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(OH)	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2N)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	107.8500	0.000	1	107.8500	0.000	1	109.2670	3.295	22	109.2248	2.901	25	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)3(ON)	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2	O(C[3x6]C[6,6]3)(NOO)	C[3x6](C[6,6]C[3x6]HH)3(ON){3|H<1>,3|N<3>}	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	O(C[3x6]C[6,6]3)(NOO)	108.7733	6.952	3	108.7733	48.331	3	108.7733	48.331	3	108.7733	48.331	3	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[3x6]-4:Si-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	113.7090	0.000	1	113.7090	0.000	1	113.7090	0.000	1	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6]C[3x6]HH)3(OC)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(CCHH)	109.3017	4.790	3	109.3017	22.948	3	109.3017	22.948	3	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:	C[3x6](C[6,6]C[3x6]HH)3(OC[6])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	C[3x6](C[6,6]C[3x6]HH)3(OC[6]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	109.4620	4.959	3	109.4620	24.590	3	109.4620	24.590	3	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:	C[3x6](C[6,6]C[3x6]HH)3(OP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(PBCC)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(PBCC)	108.7660	3.377	9	108.7660	11.405	9	108.7529	10.104	15	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:	C[3x6](C[6,6]C[3x6]HH)3(OP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(PCCO)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(PCCO)	108.6967	3.944	3	108.6967	15.558	3	108.7529	10.104	15	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:	C[3x6](C[6,6]C[3x6]HH)3(OP)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(PC[6a]CO)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(PC[6a]CO)	108.7697	3.090	3	108.7697	9.545	3	108.7529	10.104	15	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P[4]-4:	C[3x6](C[6,6]C[3x6]HH)3(OP[4])	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(P[4]N[4]2S)	C[3x6](C[6,6]C[3x6]HH)3(OP[4]){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(P[4]N[4]2S)	108.8590	4.202	6	108.8590	17.657	6	108.8590	17.657	6	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si-4:	C[3x6](C[6,6]C[3x6]HH)3(OSi)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	O(C[3x6]C[6,6]3)(SiRhCC)	C[3x6](C[6,6]C[3x6]HH)3(OSi){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(SiRhCC)	109.7360	3.643	3	109.7360	13.268	3	109.7360	13.268	3	109.3642	12.640	33	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	O(C[3x6]C[6,6]3)(H)	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	109.3175	1.536	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6]O[6]H)3(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[3x6]C[6,6]3)(H)	111.0770	0.000	1	111.0770	0.000	1	109.3317	2.303	3	109.3175	1.536	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6]O[6]H)3(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,4|H<1>,4|O<2>}	O(C[3x6]C[6,6]3)(H)	108.3220	0.000	1	108.3220	0.000	1	109.3317	2.303	3	109.3175	1.536	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6]O[6]H)3(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[3x6]C[6,6]3)(H)	108.5960	0.000	1	108.5960	0.000	1	109.3317	2.303	3	109.3175	1.536	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	105.7588	1.282	4	105.7588	1.644	4	105.7588	1.644	4	105.7588	1.644	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.9070	0.000	1	107.7105	0.077	2	107.7105	0.077	2	107.8252	0.185	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.5140	0.000	1	107.7105	0.077	2	107.7105	0.077	2	107.8252	0.185	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	107.4790	0.000	1	107.9400	0.425	2	107.9400	0.425	2	107.8252	0.185	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	108.4010	0.000	1	107.9400	0.425	2	107.9400	0.425	2	107.8252	0.185	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CCO)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	103.7020	0.000	1	103.7020	0.000	1	103.7020	0.000	1	103.7020	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.8800	0.000	1	109.8800	0.000	1	108.7183	1.294	3	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<4>,3|C<4>,3|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.6070	0.000	1	107.6070	0.000	1	108.7183	1.294	3	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	108.6680	0.000	1	108.6680	0.000	1	108.7183	1.294	3	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H)	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6]O)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	111.9925	0.518	2	111.9925	0.269	2	109.4570	3.504	8	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	107.9130	0.298	3	108.1484	0.169	5	109.4570	3.504	8	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	108.5015	0.286	2	108.1484	0.169	5	109.4570	3.504	8	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	110.9290	0.000	1	110.9290	0.000	1	109.4570	3.504	8	109.2336	2.579	12	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	112.9345	1.559	4	112.9345	2.429	4	112.9345	2.429	4	112.9345	2.429	4	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.3370	0.250	2	107.3370	0.063	2	107.3370	0.063	2	107.7082	2.088	6	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	O(C[3x6]C[4x6]C[6,6]2)(H)	107.2980	0.066	2	107.0063	0.257	3	107.0063	0.257	3	107.7082	2.088	6	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	O(C[3x6]C[4x6]C[6,6]2)(H)	106.4230	0.000	1	107.0063	0.257	3	107.0063	0.257	3	107.7082	2.088	6	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2{4|C<4>,6|H<1>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	107.7082	2.088	6	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:Si-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	109.9377	9.798	213	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	108.2956	2.478	8	108.2956	6.138	8	108.2956	6.138	8	108.2956	6.138	8	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	109.5315	0.049	2	109.5315	0.002	2	109.5315	0.002	2	109.5315	0.002	2	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|C<3>,1|O<2>,5|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	106.6955	0.551	2	106.6955	0.303	2	106.6955	0.303	2	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.2680	0.000	1	109.2680	0.000	1	108.2002	2.719	4	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	106.0590	0.000	1	106.0590	0.000	1	108.2002	2.719	4	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	109.7000	0.000	1	109.7000	0.000	1	108.2002	2.719	4	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	O(C[3x6]C[3x6]C[6,6]C[6])(H)	107.7740	0.000	1	107.7740	0.000	1	108.2002	2.719	4	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	O(C[3x6]C[4x6]2C[6])(H)	109.6430	0.000	1	107.4965	9.215	2	107.4965	9.215	2	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	O(C[3x6]C[4x6]2C[6])(H)	105.3500	0.000	1	107.4965	9.215	2	107.4965	9.215	2	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	101.7410	0.000	1	101.7410	0.000	1	104.4495	14.672	2	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	O(C[3x6]C[4x6]C[6,6]C[6])(H)	107.1580	0.000	1	107.1580	0.000	1	104.4495	14.672	2	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	107.1670	0.000	1	106.8100	0.258	3	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<2>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	106.6315	0.571	2	106.8100	0.258	3	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	106.2120	0.000	1	108.6916	4.499	7	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	111.3330	0.000	1	108.6916	4.499	7	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	106.1820	0.000	1	108.6916	4.499	7	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	110.5010	0.320	2	108.6916	4.499	7	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	108.0560	0.334	2	108.6916	4.499	7	108.1271	3.883	10	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	107.9760	0.000	1	107.8398	0.187	5	107.4107	1.255	6	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	107.5210	0.000	1	107.8398	0.187	5	107.4107	1.255	6	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	107.9007	0.556	3	107.8398	0.187	5	107.4107	1.255	6	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[3x6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	105.2650	0.000	1	105.2650	0.000	1	107.4107	1.255	6	107.5315	3.975	26	107.9202	4.804	38	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	112.0666	5.050	5	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H)	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[3x6]O[6,6]O)(C[6]S[6]HH)(H){2|H<1>,4|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	112.0666	5.050	5	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	112.0666	5.050	5	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH){1|O<1>,2|C<4>,8|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[4x6]C[3x6]2O[6,6])(H)	112.6740	3.090	2	112.6740	9.548	2	112.6740	9.548	2	112.0666	5.050	5	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H)	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	C[3x6](C[3x6]N[5,6,6]C[4x6]H)(C[4x6]C[5,3x6]C[4x6]O)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[3x6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	111.3569	5.435	8	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:O-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH)	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H)	O(C[4x6]C[4x6]2C[6,6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]H)(C[4x6]C[4x6]C[6,6]O)(C[6,6]C[3x6]HH)(H){4|C<4>,7|H<1>}	O(C[4x6]C[4x6]2C[6,6])(H)	108.8805	0.805	2	108.8805	0.649	2	108.8805	0.649	2	108.9947	0.363	3	108.9947	0.363	3	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[4x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[4x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	C[4x6](C[4x6]C[5,3x6]C[3x6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	108.9947	0.363	3	108.9947	0.363	3	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[5x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6]-4:	C[4x6]-4:H-1:	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH)	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH){1|O<2>,5|C<4>,7|H<1>}	C[5x6](C[4x6]C[6,6]O[6,6]C[6])(C[4x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:H-1:	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	111.7175	5.198	4	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[4x6]-4:H-1:	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH)	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH){1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	111.7175	5.198	4	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[6x6]O)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.9440	0.385	2	111.7175	5.198	4	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:O-2:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2	O(C[4x6]C[4x6]2C[6,6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2O)(H)2{4|C<4>,6|H<1>}	O(C[4x6]C[4x6]2C[6,6])(H)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	109.9440	0.385	2	111.7175	5.198	4	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[4x6]	C[6x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	C[4x6]-3:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6])(C[4x6]C[3x6]C[6,6]O)(C[6,6]C[6,6]HH)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	3:4:2:1:	4:4:3:4:	4:1:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.9965	0.422	2	109.9965	0.178	2	109.9965	0.178	2	109.9965	0.178	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|Cl<1>,1|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO){1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:2:2:1:	4:4:3:4:	4:4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:1:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:1:	4:4:3:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|C<3>,1|N<3>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.4048	0.683	6	113.4048	0.466	6	113.4048	0.466	6	113.4048	0.466	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:3:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|I<1>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.7355	6.099	2	109.7355	37.195	2	110.3268	23.756	4	110.0953	27.158	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:3:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.9180	5.716	2	110.9180	32.676	2	110.3268	23.756	4	110.0953	27.158	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:3:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.6325	7.992	2	109.6325	63.879	2	109.6325	63.879	2	110.0953	27.158	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	O(C[6,6]C[3x6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6,6]C[3x6]C[6,6]O)(H)	110.9030	2.080	6	110.9030	4.326	6	110.9030	4.326	6	110.9030	4.326	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.5970	4.750	2	110.5970	22.566	2	110.5970	22.566	2	110.3241	18.153	18	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.9505	6.056	2	109.9505	36.680	2	110.2899	19.058	16	110.3241	18.153	18	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.1825	4.932	2	110.1825	24.325	2	110.2899	19.058	16	110.3241	18.153	18	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.2948	4.804	6	110.2948	23.082	6	110.2899	19.058	16	110.3241	18.153	18	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.4340	4.671	6	110.4340	21.815	6	110.2899	19.058	16	110.3241	18.153	18	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:3:2:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.0560	6.907	2	110.0560	47.707	2	110.0560	47.707	2	110.0560	47.707	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.2450	5.329	2	110.8077	17.211	6	110.8077	17.211	6	110.8077	17.211	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]OO)(H){1|O<1>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	111.0890	4.348	4	110.8077	17.211	6	110.8077	17.211	6	110.8077	17.211	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:3:2:	3:4:2:4:	4:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH)	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	107.2940	0.156	2	107.2940	0.024	2	108.3102	1.067	5	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	108.3790	0.000	1	108.3790	0.000	1	108.3102	1.067	5	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	108.9420	0.000	1	108.9420	0.000	1	108.3102	1.067	5	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	109.6420	0.000	1	109.6420	0.000	1	108.3102	1.067	5	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	107.5200	0.000	1	109.6820	9.348	2	109.6820	9.348	2	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]C)(H)	111.8440	0.000	1	109.6820	9.348	2	109.6820	9.348	2	108.6754	2.335	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	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(C[6,6]C[3x6]2H)(H)	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:2:4:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	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(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	O(C[6,6]C[3x6]2H)(H)	111.1860	1.769	2	111.1860	3.130	2	111.1860	3.130	2	110.5290	3.158	7	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.2075	1.834	2	109.2075	3.362	2	109.2075	3.362	2	110.5290	3.158	7	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.6540	2.172	2	111.6540	4.719	2	111.6540	4.719	2	110.5290	3.158	7	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	110.5290	3.158	7	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	109.7090	0.252	2	109.7090	0.063	2	109.7090	0.063	2	109.7090	0.063	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:2:1:	4:2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:O-2:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	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(C[6,6]C[3x6]C[6,6]H)(OH)	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:3:3:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:C[5]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.8672	0.219	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:3:3:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	108.2260	0.375	2	108.2260	0.140	2	108.2260	0.140	2	107.8672	0.219	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:3:3:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-4:C[6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.8672	0.219	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)(CH3)	112.4590	0.300	2	112.4590	0.090	2	112.4590	0.090	2	112.4590	0.090	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:D-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:D-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]D)2(OH)(D)	C[3x6](C[6,6]C[3x6]DO)2(O[6,6]C[3x6])(D)	O(C[6,6]C[3x6]2D)(H)	C[6,6](C[3x6]C[6,6]O[6,6]D)2(OH)(D){2|C<4>,2|D<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]DO)2(O[6,6]C[3x6])(D){1|C<4>,1|H<1>,2|D<1>,2|O<2>}	O(C[6,6]C[3x6]2D)(H)	111.3678	1.455	6	111.3678	2.116	6	111.3678	2.116	6	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	114.6265	1.006	2	114.6265	1.012	2	112.4010	7.261	4	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	110.1755	0.979	2	110.1755	0.959	2	112.4010	7.261	4	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]2H)(H)	108.4520	0.000	1	108.4520	0.000	1	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	109.4660	0.000	1	109.4660	0.000	1	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	111.7700	2.509	2	112.1380	2.471	4	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.5060	0.759	2	112.1380	2.471	4	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	113.5350	0.000	1	111.4044	6.743	83	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	111.4583	1.452	12	111.4044	6.743	83	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	111.3647	2.759	70	111.4044	6.743	83	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	110.8462	1.845	6	110.8462	3.405	6	111.3485	6.315	95	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.5970	0.000	1	108.6950	6.835	4	108.6950	6.835	4	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	107.3943	0.319	3	108.6950	6.835	4	108.6950	6.835	4	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	108.1190	2.663	2	108.1190	7.091	2	108.1190	7.091	2	111.2150	6.332	113	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H)	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(SiC3)	110.5135	0.612	2	110.5135	0.374	2	110.5135	0.374	2	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	115.3480	0.000	1	115.3480	0.000	1	111.1769	9.851	16	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	108.7610	0.000	1	110.6547	7.140	11	111.1769	9.851	16	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	110.8441	2.738	10	110.6547	7.140	11	111.1769	9.851	16	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(CH3)	111.5703	4.295	4	111.5703	18.450	4	111.1769	9.851	16	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(SCOO)	109.8449	2.872	10	109.9311	7.039	14	109.7410	4.398	24	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SCOO)	110.1467	2.382	4	109.9311	7.039	14	109.7410	4.398	24	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	108.9680	0.960	2	109.4749	0.936	10	109.7410	4.398	24	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	109.6050	0.786	4	109.4749	0.936	10	109.7410	4.398	24	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	109.5983	1.292	4	109.4749	0.936	10	109.7410	4.398	24	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]2H)(SiC3)	108.9000	0.000	1	108.9000	0.000	1	110.0236	1.467	5	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|H<1>,2|C<4>,3|O<2>}	O(C[6,6]C[3x6]2H)(SiC3)	110.3045	1.196	4	110.3045	1.429	4	110.0236	1.467	5	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	105.2010	0.000	1	105.2010	0.000	1	109.9895	45.859	2	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	114.7780	0.000	1	114.7780	0.000	1	109.9895	45.859	2	110.2804	6.697	49	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.9510	0.232	2	113.0532	0.930	9	113.0532	0.930	9	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	114.1710	0.000	1	113.0532	0.930	9	113.0532	0.930	9	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	113.3377	1.511	3	113.0532	0.930	9	113.0532	0.930	9	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.2605	0.122	2	113.0532	0.930	9	113.0532	0.930	9	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.8720	0.000	1	113.0532	0.930	9	113.0532	0.930	9	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	112.8497	1.263	11	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SiC3)	111.2655	0.840	4	111.2655	0.706	4	111.2655	0.706	4	111.2655	0.706	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.3850	0.379	2	110.3850	0.144	2	110.3850	0.144	2	110.3850	0.144	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.0595	1.904	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	108.4280	0.000	1	108.4280	0.000	1	111.0423	2.219	7	111.0595	1.904	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.4780	1.033	6	111.4780	1.068	6	111.0423	2.219	7	111.0595	1.904	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	111.6060	0.000	1	111.6060	0.000	1	110.0355	5.944	4	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	107.9610	0.332	2	107.9610	0.110	2	110.0355	5.944	4	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	112.6140	0.000	1	112.6140	0.000	1	110.0355	5.944	4	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.5235	1.824	2	112.5235	3.326	2	112.5235	3.326	2	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.0405	0.644	2	110.0405	0.415	2	110.0405	0.415	2	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(H)	111.4470	0.000	2	111.4470	0.000	2	111.4470	0.000	2	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	111.0053	3.266	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[3x6]2H)(CH3)	106.8325	0.600	2	106.8325	0.360	2	107.1430	0.469	3	107.8132	2.110	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(CH3)	107.7640	0.000	1	107.7640	0.000	1	107.1430	0.469	3	107.8132	2.110	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	O(C[6,6]C[3x6]2H)(SiC3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SiC3)	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	107.8132	2.110	4	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	O(C[6,6]C[3x6]C[4x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(CH3)	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.6808	1.046	5	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	107.4167	0.927	3	107.4167	0.859	3	107.4167	0.859	3	107.6808	1.046	5	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	107.6808	1.046	5	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<2>,1|O<1>,4|C<4>,9|H<1>}	O(C[6,6]C[3x6]2H)(H)	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	114.2370	0.000	1	114.2370	0.000	1	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	111.3630	0.000	1	111.3630	0.000	1	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.8720	0.000	1	112.8720	0.000	1	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	113.2570	1.080	2	111.4835	4.194	8	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	111.4050	0.000	1	111.4835	4.194	8	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[3x6]2H)(H)	113.1505	0.231	2	111.4835	4.194	8	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	109.2160	0.656	3	111.4835	4.194	8	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	109.2010	0.000	1	109.2010	0.000	1	111.6284	3.986	12	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]2H)(H)	107.5970	0.000	1	107.5970	0.000	1	108.9223	2.505	3	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	109.5850	1.541	2	109.5850	2.376	2	108.9223	2.505	3	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<3>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.9835	0.013	2	111.0970	4.895	51	111.0970	4.895	51	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.8191	2.208	45	111.0970	4.895	51	111.0970	4.895	51	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HO)(H){1|N<4>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.2800	0.434	4	111.0970	4.895	51	111.0970	4.895	51	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	110.3500	0.000	1	110.3500	0.000	1	110.3500	0.000	1	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	112.9450	0.000	1	112.9450	0.000	1	112.7435	0.081	2	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	112.5420	0.000	1	112.5420	0.000	1	112.7435	0.081	2	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	110.9921	4.899	73	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[3x6](C[5,5,3x6]C[5,5,3x6]O[5,5]O[5,6])(C[6,6]C[5,6,6]HH)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[3x6]2H)(CH3)	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	109.6548	10.792	10	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)	109.0690	2.806	2	109.0690	7.873	2	109.0690	7.873	2	109.6548	10.792	10	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(SCOO)	107.8005	0.896	2	107.8005	0.803	2	108.1727	1.277	6	109.6548	10.792	10	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	108.3588	1.312	4	108.3588	1.722	4	108.1727	1.277	6	109.6548	10.792	10	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,5,6,6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	109.6548	10.792	10	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.3234	0.205	5	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.3340	0.522	4	112.3340	0.272	4	112.3340	0.272	4	112.3234	0.205	5	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)2(OH)(H)	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH)	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H){1|C<4>,1|N<3>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH){5|C<4>}	O(C[6,6]C[3x6]2H)(H)	111.8532	1.732	12	111.8532	2.999	12	111.8532	2.999	12	111.8532	2.999	12	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:2:4:4:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6,6]-2:C[6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH)	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH){3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]O)(O[6,6]C[3x6])(C[6]C[6]HH)2{1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[3x6]C[6]O[6])(H)	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	O(C[6,6]C[3x6]C[6,6]O)(C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(C)	108.6365	3.730	2	108.6365	13.913	2	108.6365	13.913	2	109.3693	8.568	3	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	109.3693	8.568	3	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	108.9730	3.907	2	108.9730	15.268	2	108.9730	15.268	2	108.9730	15.268	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	O(C[6,6]C[3x6]C[6]O[6])(H)	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:2:	C[3x6]-4:C[3x6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:	C[6,6](C[3x6]C[6,6]2H)2(OO)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	O(C[6,6]C[3x6]2O)(OC)	C[6,6](C[3x6]C[6,6]2H)2(OO)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2O)(OC)	109.1189	4.835	16	109.1189	23.375	16	109.1189	23.375	16	109.1189	23.375	16	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[3x6]-4:O-2:C-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:Si-4:	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C)(SiC3)	C[6,6](C[3x6]C[6,6]2H)2(OSi)(CN){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C)(SiC3)	109.8205	1.742	2	109.8205	3.033	2	109.8205	3.033	2	109.3694	12.481	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|H<1>,3|O<2>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.6405	4.390	2	109.2190	16.758	6	109.2190	16.758	6	109.3694	12.481	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.0083	4.618	4	109.2190	16.758	6	109.2190	16.758	6	109.3694	12.481	8	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3)	O(C[6,6]C[3x6]N[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3){1|H<1>,5|C<4>}	O(C[6,6]C[3x6]N[3x6]O)(H)	110.8560	0.498	2	110.8560	0.248	2	110.8560	0.248	2	110.8560	0.248	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	3:4:3:4:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	106.3685	0.284	2	106.3685	0.080	2	106.3685	0.080	2	106.3685	0.080	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H)	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,3x6]C[6,6a]C[5,6]O[5,6])(C[6,6]C[6]2O)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O(C[6,6]C[3x6]C[6]2)(H)	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C)(H)	109.2980	1.953	2	109.2980	3.814	2	109.1345	1.538	4	108.6513	1.655	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C)(H)	108.9710	0.832	2	108.9710	0.691	2	109.1345	1.538	4	108.6513	1.655	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C[6a])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	C[3x6](C[6,6]C[3x6]C[6a]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C[6a])(H)	107.6850	0.929	2	107.6850	0.863	2	107.6850	0.863	2	108.6513	1.655	6	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2{10|H<1>,1|C<4>,2|C<3>}	O(C[6,6]C[3x6]C[6]2)(H)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:3:2:2:	4:4:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,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){2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	109.4310	0.085	2	109.4310	0.007	2	109.4310	0.007	2	109.4310	0.007	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2C)(H)	110.8610	0.996	2	110.8610	0.991	2	110.8610	0.991	2	110.8610	0.991	2	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	108.8550	0.614	2	108.8550	0.377	2	108.8550	0.377	2	108.7237	0.240	3	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H)	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	O(C[6,6]C[3x6]C[6]2)(H)	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	108.7237	0.240	3	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2C)(H)	108.3377	2.103	8	108.3377	4.424	8	108.3377	4.424	8	108.4526	4.484	17	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	109.0543	0.508	3	109.0543	0.258	3	109.0543	0.258	3	108.4526	4.484	17	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	O(C[6,6]C[3x6]C[6]2)(H)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.4526	4.484	17	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	108.4526	4.484	17	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H)	O(C[6,6]C[3x6]2Si[5])(H)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]Si[5]O)(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[3x6]2Si[5])(H)	107.8810	3.244	4	107.8810	10.521	4	107.8810	10.521	4	108.4526	4.484	17	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[6]2O)2(C[6]C[6]HH)2{10|H<1>,1|C<4>,2|C<3>}	O(C[6,6]C[3x6]C[6]2)(H)	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.7070	0.000	1	110.5797	7.394	459	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:2:2:1:	4:3:4:4:	4:4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH)	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]HO)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:2:2:1:	4:4:4:4:	4:4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|O<2>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){1|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:O[6,6]-2:O[6]-2:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6])	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	C[4x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	113.9270	0.706	2	113.9270	0.498	2	113.9270	0.498	2	113.6610	0.461	3	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	113.6610	0.461	3	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[6,6]-4:S-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O)	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[4x6](C[3x6]C[6,6]O[6]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6]C[6,6a]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	113.8430	0.000	1	114.2630	0.353	2	114.2630	0.353	2	114.2630	0.353	2	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH)	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[6,6]C[3x6]HO)(C[6,6]C[6]2)(C[6]O[6]HH){2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	114.6830	0.000	1	114.2630	0.353	2	114.2630	0.353	2	114.2630	0.353	2	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	O(C[6,6]C[4x6]2H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	O(C[6,6]C[4x6]2H)(H)	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	O(C[6,6]C[3x6]C[4x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(CH3)	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	109.1050	8.862	2	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:Si-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H)	O(C[6,6]C[4x6]2H)(SiC3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]HO)(H){1|O<1>,4|H<1>,5|C<4>}	O(C[6,6]C[4x6]2H)(SiC3)	111.2100	0.000	1	111.2100	0.000	1	111.2100	0.000	1	109.1050	8.862	2	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]HO)2(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC)	O(C[6,6]C[4x6]2H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,8|H<1>}	O(C[6,6]C[4x6]2H)(H)	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	112.8678	5.785	5	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	110.2690	0.000	1	110.2690	0.000	1	113.5295	4.794	4	112.8678	5.785	5	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	114.4835	0.317	2	114.4835	0.101	2	113.5295	4.794	4	112.8678	5.785	5	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH)	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2O)(C[6,6]C[6,6]HO)2(C[6]C[6]HH){2|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	114.8820	0.000	1	114.8820	0.000	1	113.5295	4.794	4	112.8678	5.785	5	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:Si-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH)	O(C[6,6]C[4x6]2H)(SiC3)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CH){4|C<4>,8|H<1>}	O(C[6,6]C[4x6]2H)(SiC3)	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	111.6776	5.390	22	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:3:4:2:	4:2:4:1:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O(C[6,6]C[6,6a]2C[6,6])(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,5|C<3>}	O(C[6,6]C[6,6a]2C[6,6])(H)	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:3:4:2:	4:3:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2	O(C[6,6]C[6,6a]2C[6,6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2{4|H<1>,6|C<3>}	O(C[6,6]C[6,6a]2C[6,6])(CH3)	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	105.6130	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:2:2:	3:4:2:2:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	116.6720	1.030	2	116.6720	1.060	2	115.7973	1.580	4	115.7973	1.580	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:2:2:	3:4:2:2:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	114.9225	0.787	2	114.9225	0.619	2	115.7973	1.580	4	115.7973	1.580	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:2:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:3:2:	4:2:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O(C[6,6]C[6,6a]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]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2{2|H<1>,2|O<2>,3|C<3>}	O(C[6,6]C[6,6]2C[6])(H)	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:3:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:3:2:	4:4:4:1:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	111.4865	0.006	2	111.4865	0.000	2	110.1463	5.388	3	110.1463	5.388	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:3:2:	4:4:4:1:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]SS)(H){1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	107.4660	0.000	1	107.4660	0.000	1	110.1463	5.388	3	110.1463	5.388	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	3:4:4:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	111.5815	4.648	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2	O(C[6,6]C[6,6]N[5,6]C[6])(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]N[5,6]C[6])(H)	113.1060	0.000	1	113.1060	0.000	1	113.1060	0.000	1	111.5815	4.648	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	107.9685	2.463	2	107.9685	6.066	2	107.9685	6.066	2	108.4613	2.374	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	108.9540	0.294	2	108.9540	0.087	2	108.9540	0.087	2	108.4613	2.374	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:2:2:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.3590	0.000	1	105.3590	0.000	1	105.3590	0.000	1	105.3590	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:3:1:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	103.6310	0.150	2	103.6310	0.022	2	103.6310	0.022	2	103.6310	0.022	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:3:2:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	106.2750	0.000	1	106.2750	0.000	1	106.2750	0.000	1	106.2750	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:3:4:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.0223	2.163	3	110.0223	4.677	3	110.0223	4.677	3	110.0223	4.677	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	111.9180	0.000	1	111.9180	0.000	1	110.1857	2.622	3	110.1857	2.622	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H)	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	109.3195	0.862	2	109.3195	0.743	2	110.1857	2.622	3	110.1857	2.622	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	104.4800	4.968	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	103.8710	0.000	1	103.2845	0.688	2	103.3943	0.380	3	104.4800	4.968	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	102.6980	0.000	1	103.2845	0.688	2	103.3943	0.380	3	104.4800	4.968	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	103.6140	0.000	1	103.6140	0.000	1	103.3943	0.380	3	104.4800	4.968	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[4x6]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	106.1590	1.043	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	106.1590	1.043	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]2C[6])(H)	105.8280	0.000	1	105.8280	0.000	1	105.4800	0.242	2	106.1590	1.043	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	3:4:4:2:	4:4:4:4:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.1320	0.000	1	105.1320	0.000	1	105.4800	0.242	2	106.1590	1.043	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:2:2:	4:2:4:2:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi)	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a])	O(C[6,6]C[6,6]O[6]2)(SiC3)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(OSi){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]O[6]2)(SiC3)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:2:2:	4:4:1:1:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC)	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2	O(C[6,6]C[6,6]O[6]2)(CCHH)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC){1|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2{4|C<3>}	O(C[6,6]C[6,6]O[6]2)(CCHH)	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:3:2:	4:4:1:1:	4:4:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(CH3)	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>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2{1|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	115.0930	0.000	1	115.0930	0.000	1	115.0930	0.000	1	115.0930	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:2:2:1:	4:4:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H)	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	112.2345	0.110	2	112.2345	0.012	2	112.2345	0.012	2	112.2345	0.012	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.4147	2.073	3	112.4147	4.297	3	112.4147	4.297	3	112.4147	4.297	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	105.6450	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	107.1765	0.257	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]HN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	107.1765	0.257	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:2:4:2:	4:4:4:3:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(CCO){2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:2:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.8410	0.000	1	110.0273	1.109	3	110.0273	1.109	3	110.0273	1.109	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:2:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.1205	1.471	2	110.0273	1.109	3	110.0273	1.109	3	110.0273	1.109	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:2:2:	4:4:2:2:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.4770	2.840	4	108.4770	8.063	4	108.4770	8.063	4	108.4770	8.063	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:2:3:1:	4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	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(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|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){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6,6]C[6,6]2C[6])(CH3)	105.0655	0.245	2	105.0655	0.060	2	105.0655	0.060	2	105.0655	0.060	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:2:3:4:	4:4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	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(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|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){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]2C[6])(CH3)	104.9730	0.000	1	104.9730	0.000	1	104.9730	0.000	1	104.9730	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	107.1780	0.000	1	107.1780	0.000	1	107.1780	0.000	1	108.5523	1.275	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9000	0.089	2	109.9000	0.008	2	109.9000	0.008	2	108.5523	1.275	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.0260	0.000	3	109.0260	0.000	3	108.3212	1.095	5	108.5523	1.275	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2640	0.809	2	107.2640	0.654	2	108.3212	1.095	5	108.5523	1.275	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.5523	1.275	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	3:4:4:1:	4:1:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.5240	0.966	2	107.5170	12.383	3	107.5170	12.383	3	107.5170	12.383	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	111.5030	0.000	1	107.5170	12.383	3	107.5170	12.383	3	107.5170	12.383	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:2:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.3640	0.000	1	108.6865	0.208	2	108.6865	0.208	2	106.3496	10.852	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:2:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.0090	0.000	1	108.6865	0.208	2	108.6865	0.208	2	106.3496	10.852	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	106.3496	10.852	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:S-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.0360	2.550	2	103.0360	6.502	2	103.0360	6.502	2	106.3496	10.852	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:2:	4:4:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(CH3)	103.0150	0.000	1	103.0150	0.000	1	103.0150	0.000	1	103.0150	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.8815	0.439	2	109.8815	0.193	2	109.8815	0.193	2	109.8520	0.099	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.8520	0.099	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	112.4765	0.093	2	112.4765	0.009	2	112.4765	0.009	2	112.4765	0.009	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	110.0220	1.259	3	110.1682	0.669	6	110.1682	0.669	6	110.1682	0.669	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	110.3143	0.153	3	110.1682	0.669	6	110.1682	0.669	6	110.1682	0.669	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.0200	0.000	1	107.8125	0.086	2	107.8125	0.086	2	107.5743	0.213	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	107.6050	0.000	1	107.8125	0.086	2	107.8125	0.086	2	107.5743	0.213	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	107.5743	0.213	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.5455	3.116	2	109.5455	9.711	2	109.5455	9.711	2	109.5914	8.331	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.6550	0.000	1	105.6550	0.000	1	109.6220	11.803	3	109.5914	8.331	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	111.5850	0.000	1	111.5850	0.000	1	109.6220	11.803	3	109.5914	8.331	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	111.6260	0.000	1	111.6260	0.000	1	109.6220	11.803	3	109.5914	8.331	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	O(C[6,6]C[6,6]2H)(H)	109.5220	0.000	1	109.5220	0.000	1	109.0475	0.450	2	109.0475	0.450	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	O(C[6,6]C[6,6]2H)(H)	108.5730	0.000	1	108.5730	0.000	1	109.0475	0.450	2	109.0475	0.450	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	3:4:3:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	112.2730	0.556	2	112.2730	0.309	2	112.2730	0.309	2	112.2730	0.309	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:S[6]-2:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HO)(S[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	108.2578	1.641	5	108.2578	2.692	5	108.2578	2.692	5	108.2578	2.692	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	109.3585	2.614	2	109.3585	6.834	2	109.3585	6.834	2	109.3585	6.834	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	107.6200	0.216	2	107.6200	0.047	2	107.6200	0.047	2	107.6200	0.047	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:3:2:2:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	O(C[6,6]C[6,6]2H)(H)	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:Br-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]2H)(H)	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HO)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	108.6355	2.497	2	108.6355	6.234	2	108.6355	6.234	2	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	112.0900	0.000	1	112.0900	0.000	1	111.3604	3.446	5	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){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]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.1780	2.091	4	111.1780	4.373	4	111.3604	3.446	5	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.2570	0.000	1	109.0853	2.502	4	109.0853	2.502	4	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	108.3613	0.780	3	109.0853	2.502	4	109.0853	2.502	4	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	106.5373	0.421	4	106.5373	0.177	4	110.6013	4.465	48	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.9707	1.787	44	110.9707	3.192	44	110.6013	4.465	48	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	106.5620	0.000	1	107.0865	0.550	2	107.0865	0.550	2	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	107.6110	0.000	1	107.0865	0.550	2	107.0865	0.550	2	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[4x6]C[6,6]H)(H)	108.6220	0.000	1	108.6220	0.000	1	108.5870	0.362	3	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	107.9690	0.000	1	108.5695	0.721	2	108.5870	0.362	3	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[4x6]C[6,6]H)(H)	109.1700	0.000	1	108.5695	0.721	2	108.5870	0.362	3	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	108.7380	0.000	1	108.7380	0.000	1	111.4833	5.925	3	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	112.8560	0.738	2	112.8560	0.545	2	111.4833	5.925	3	110.3379	4.574	68	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(OH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(OH)	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	104.8260	1.980	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	O(C[6,6]C[6,6]2H)(OC[6,6])	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(OC[6,6])	103.8310	0.000	1	103.8310	0.000	1	103.8310	0.000	1	104.8260	1.980	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	106.4810	0.000	1	106.4810	0.000	1	111.3143	17.522	3	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	113.7310	0.049	2	113.7310	0.002	2	111.3143	17.522	3	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:S-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	106.4070	0.000	1	106.4070	0.000	1	106.4070	0.000	1	110.4899	11.000	7	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.0070	0.000	1	111.0070	0.000	1	110.9825	1.995	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.7265	3.481	2	110.7265	12.118	2	110.9825	1.995	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.6580	0.652	2	110.6580	0.425	2	110.9825	1.995	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.9540	0.000	1	111.9540	0.000	1	110.9825	1.995	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(H)	111.0650	0.345	2	111.0650	0.119	2	110.9825	1.995	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6,6]C[6,6]2H)(H)	109.8970	0.000	1	109.8970	0.000	1	111.2523	2.600	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	109.6700	0.000	1	109.6700	0.000	1	111.2523	2.600	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6,6]C[6,6]2H)(H)	111.7418	1.576	6	111.7418	2.484	6	111.2523	2.600	8	111.2358	2.267	17	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	112.5108	9.932	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	112.5108	9.932	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6,6]C[6,6]2H)(CC[6a]HH)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6,6]C[6,6]2H)(CC[6a]HH)	112.2048	3.932	4	112.2048	15.459	4	112.2048	15.459	4	112.5108	9.932	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	114.6555	1.479	2	114.6555	2.186	2	114.6555	2.186	2	114.0010	0.939	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	113.4195	0.125	2	113.5647	0.071	3	113.5647	0.071	3	114.0010	0.939	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	113.8550	0.000	1	113.5647	0.071	3	113.5647	0.071	3	114.0010	0.939	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(H)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	109.7430	3.033	2	109.7430	9.202	2	109.7430	9.202	2	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]2H)(H)	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.4985	3.807	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	112.9340	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	O(C[6,6]C[6,6]2H)(OC[6,6])	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	O(C[6,6]C[6,6]2H)(OC[6,6])	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	110.8490	1.970	3	110.8490	3.882	3	110.0684	1.810	8	110.0684	1.810	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	O(C[6,6]C[6,6]2H)(H)	109.7290	0.000	1	109.7290	0.000	1	110.0684	1.810	8	110.0684	1.810	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	109.8173	0.779	3	109.8173	0.607	3	110.0684	1.810	8	110.0684	1.810	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	108.8190	0.000	1	108.8190	0.000	1	110.0684	1.810	8	110.0684	1.810	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	108.6430	0.000	1	112.0575	5.395	4	112.0575	5.395	4	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	113.1957	0.565	3	112.0575	5.395	4	112.0575	5.395	4	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	111.8430	0.000	1	111.8430	0.000	1	111.8430	0.000	1	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	O(C[6,6]C[6,6]2H)(H)	107.3240	0.000	1	107.3240	0.000	1	109.4222	6.706	5	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	110.8700	3.913	2	110.8700	15.313	2	109.4222	6.706	5	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|N<3>,1|S<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	109.0235	1.611	2	109.0235	2.597	2	109.4222	6.706	5	110.7184	6.649	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){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]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	109.3285	3.173	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2H)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]2H)(SiC3)	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	109.3285	3.173	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6,6]C[6,6]2H)(H)	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	112.7310	0.000	1	112.7310	0.000	1	110.2024	4.505	9	110.2024	4.505	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2H)(H)	109.0415	2.606	2	109.0415	6.790	2	110.2024	4.505	9	110.2024	4.505	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6a]N[6]H)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2H)(H)	110.1680	2.008	6	110.1680	4.031	6	110.2024	4.505	9	110.2024	4.505	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO)	O(C[6,6]C[6,6]2H)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	O(C[6,6]C[6,6]2H)(SiC3)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	112.4300	6.537	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	113.6160	0.000	1	113.6160	0.000	1	111.5617	5.281	3	112.4300	6.537	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	O(C[6,6]C[6,6]2H)(H)	110.5345	2.057	2	110.5345	4.231	2	111.5617	5.281	3	112.4300	6.537	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	109.5750	5.790	2	109.5750	33.522	2	108.8938	18.761	6	108.8938	18.761	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	108.5532	4.431	4	108.5532	19.630	4	108.8938	18.761	6	108.8938	18.761	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	3:4:4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	109.0820	5.088	2	109.0820	25.891	2	109.0820	25.891	2	109.0820	25.891	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:2:2:1:	4:1:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H)	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H){1|N<2>,1|S<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:2:2:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	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(C[6,6]C[6,6]C[6]O[6])(CH3)	103.7673	0.370	4	103.7673	0.137	4	103.7673	0.137	4	103.7673	0.137	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6,6]C[6,6]2O)(CCHH)	110.5140	4.897	2	110.5140	23.985	2	110.5140	23.985	2	109.9885	19.466	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6]2O)(CH3)	109.4630	5.771	2	109.4630	33.309	2	109.4630	33.309	2	109.9885	19.466	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	O(C[6,6]C[6,6]2O)(CH3)	109.0110	6.599	2	109.0110	43.543	2	109.8119	18.966	8	109.8119	18.966	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	O(C[6,6]C[6,6]2O)(CH3)	110.1805	4.594	4	110.0788	17.502	6	109.8119	18.966	8	109.8119	18.966	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:3:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	O(C[6,6]C[6,6]2O)(CH3)	109.8755	4.907	2	110.0788	17.502	6	109.8119	18.966	8	109.8119	18.966	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	107.1600	0.000	1	107.2320	0.038	3	107.2320	0.038	3	107.8735	1.548	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	107.2680	0.260	2	107.2320	0.038	3	107.2320	0.038	3	107.8735	1.548	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	107.5880	0.197	2	107.5880	0.039	2	107.5880	0.039	2	107.8735	1.548	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	107.8735	1.548	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]O)(C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(C)	109.7290	4.183	2	109.7290	17.500	2	109.7290	17.500	2	109.7290	17.500	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.4450	4.381	2	109.4450	19.195	2	109.4450	19.195	2	109.4096	8.028	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.5172	3.114	4	109.6355	6.330	6	109.6355	6.330	6	109.4096	8.028	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	109.8720	1.549	2	109.6355	6.330	6	109.6355	6.330	6	109.4096	8.028	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6,6]C[6,6]2O)(CCHH)	108.6965	4.481	2	108.6965	20.079	2	108.6965	20.079	2	109.4096	8.028	10	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	107.4384	1.676	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.0990	0.348	2	107.1907	1.383	7	107.1907	1.383	7	107.4384	1.676	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	106.9335	1.371	4	107.1907	1.383	7	107.1907	1.383	7	107.4384	1.676	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	106.4030	0.000	1	107.1907	1.383	7	107.1907	1.383	7	107.4384	1.676	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2{3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6,6]C[6,6]2O)(CCHH)	107.9315	5.543	2	107.9315	30.725	2	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6,6]C[6,6]2O)(CH3)	109.2173	5.578	4	109.2173	31.119	4	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	109.9325	4.953	2	109.9325	24.535	2	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	109.2460	5.525	2	109.2460	30.529	2	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6,6]C[6,6]2O)(CCHH)	109.6370	5.875	2	109.6370	34.511	2	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	110.4105	6.920	2	110.3350	23.763	4	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	O(C[6,6]C[6,6]2O)(CH3)	110.2595	4.834	2	110.3350	23.763	4	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	O(C[6,6]C[6,6]2O)(CH3)	109.5025	6.157	2	109.5025	37.906	2	109.4838	19.495	18	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	108.2520	5.069	2	108.2520	25.690	2	109.0065	18.805	6	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6,6]C[6,6]2O)(CCHH)	109.1635	5.557	2	109.1635	30.882	2	109.0065	18.805	6	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6,6]C[6,6]2O)(CH3)	109.6040	5.962	2	109.6040	35.549	2	109.0065	18.805	6	109.3645	18.542	24	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){4|C<4>,6|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]HH)(H){4|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.1070	0.000	1	108.1070	0.000	1	107.7530	0.251	2	107.7530	0.251	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	107.3990	0.000	1	107.3990	0.000	1	107.7530	0.251	2	107.7530	0.251	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6,6]C[6,6]2O)(CH3)	109.0260	4.781	4	109.0260	22.855	4	109.3645	17.157	8	109.1242	15.532	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2H)2(OC)2{2|N<3>,8|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]N[6]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6,6]C[6,6]2O)(CCHH)	109.7030	4.108	4	109.7030	16.872	4	109.3645	17.157	8	109.1242	15.532	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	109.1242	15.532	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.9788	3.676	4	110.2732	8.593	6	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Mn<7>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	110.8620	1.174	2	110.2732	8.593	6	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<5>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.5080	1.840	8	109.6320	5.294	28	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Fe<6>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.8508	3.572	4	109.6320	5.294	28	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<6>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.8340	2.912	8	109.6320	5.294	28	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Ni<7>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.4938	1.634	4	109.6320	5.294	28	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Zn<6>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(H)	109.3955	2.055	4	109.6320	5.294	28	109.7451	5.695	34	109.7451	5.695	34	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2{3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[6,6]2O)(CCHH)	110.0485	6.474	2	110.0485	41.907	2	109.0302	22.998	8	109.0302	22.998	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(CH3)	109.0805	5.662	4	108.6908	23.263	6	109.0302	22.998	8	109.0302	22.998	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]N[6]H)(C[6]N[6]HH)(COO){1|Mn<7>,1|N<3>,2|C<3>,4|C<4>}	O(C[6,6]C[6,6]2O)(CH3)	107.9115	4.280	2	108.6908	23.263	6	109.0302	22.998	8	109.0302	22.998	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	111.2725	1.218	2	111.2725	1.484	2	111.2725	1.484	2	110.9970	0.436	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.9970	0.436	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	110.7840	0.000	2	110.7840	0.000	2	110.7840	0.000	2	110.9970	0.436	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:3:3:1:	4:1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	108.2915	0.248	6	108.2915	0.061	6	108.2915	0.061	6	108.2915	0.061	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:3:3:3:	4:1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	108.4606	0.248	5	108.4606	0.062	5	108.4606	0.062	5	108.4606	0.062	5	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:3:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	106.5757	0.626	3	106.5757	0.392	3	106.5757	0.392	3	108.4620	5.752	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3165	0.487	2	109.3165	0.237	2	109.3165	0.237	2	108.4620	5.752	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	108.4620	5.752	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	110.4143	3.065	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	110.4143	3.065	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	110.4143	3.065	3	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:2:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	102.7110	0.000	1	102.7110	0.000	1	102.7110	0.000	1	102.7110	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	107.9590	0.875	2	107.9590	0.766	2	107.9590	0.766	2	107.3809	5.104	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.9720	0.000	1	107.9720	0.000	1	106.6850	1.245	3	107.3809	5.104	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<2>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.0415	0.071	2	106.0415	0.005	2	106.6850	1.245	3	107.3809	5.104	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.4530	0.062	2	105.4530	0.004	2	105.4530	0.004	2	107.3809	5.104	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	107.3809	5.104	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]N[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(OH)	103.2770	0.000	1	103.2770	0.000	1	103.2770	0.000	1	103.2770	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[4,6]C[6,6]C[6])(H)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	O(C[6,6]C[4,6]C[6,6]C[6])(H)	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	108.4640	2.877	3	108.4640	8.278	3	108.4640	8.278	3	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.3545	0.012	2	110.3545	0.000	2	109.9268	2.448	5	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.8715	0.325	2	110.8715	0.105	2	109.9268	2.448	5	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.1820	0.000	1	107.1820	0.000	1	109.9268	2.448	5	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.7640	0.000	1	104.7640	0.000	1	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7730	0.437	3	105.7730	0.191	3	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.1720	0.000	1	106.2425	0.010	2	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.3130	0.000	1	106.2425	0.010	2	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.3845	0.730	2	111.3845	0.534	2	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2470	0.000	1	106.2470	0.000	1	107.0649	6.321	9	108.1864	6.217	19	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:3:2:	4:4:4:4:	4:3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(NOO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(NOO)	103.3360	0.000	1	103.3360	0.000	1	103.3360	0.000	1	103.3360	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	110.1530	0.039	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	110.1530	0.039	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:3:3:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2C)(H)	110.6170	0.164	2	110.6170	0.027	2	110.6170	0.027	2	110.6170	0.027	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:2:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	104.6040	0.000	1	104.6040	0.000	1	104.6040	0.000	1	108.4462	7.276	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.8750	0.000	1	109.8690	2.024	2	109.7270	1.073	3	108.4462	7.276	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8630	0.000	1	109.8690	2.024	2	109.7270	1.073	3	108.4462	7.276	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.4430	0.000	1	109.4430	0.000	1	109.7270	1.073	3	108.4462	7.276	4	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]2C)(H)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[6,6]2C)(H)	106.1740	0.000	1	106.1740	0.000	1	106.1740	0.000	1	105.0950	2.328	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.0160	0.000	1	104.0160	0.000	1	104.0160	0.000	1	105.0950	2.328	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:3:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	O(C[6,6]C[6,6]2C)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	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(C[6,6]C[6,6]2C)(CH3)	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	104.9280	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:3:3:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	102.9860	0.000	1	102.9860	0.000	1	102.9860	0.000	1	102.9860	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:Si-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:3:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|C<3>,3|C<4>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	107.4045	0.218	2	107.0800	0.495	5	107.0800	0.495	5	107.6180	1.615	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{4|C<4>,6|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	106.8637	0.889	3	107.0800	0.495	5	107.0800	0.495	5	107.6180	1.615	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]C)(H)	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	107.6180	1.615	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)2{1|O<1>,2|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	107.6180	1.615	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2{2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	107.6180	1.615	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.5940	0.000	1	105.5940	0.000	1	105.5940	0.000	1	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.4560	0.000	1	110.4560	0.000	1	108.7872	4.285	5	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0335	0.093	2	110.0335	0.009	2	108.7872	4.285	5	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.5700	0.000	1	105.5700	0.000	1	108.7872	4.285	5	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.8430	0.000	1	107.8430	0.000	1	108.7872	4.285	5	108.6732	4.294	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	105.5720	0.000	1	105.5720	0.000	1	105.5720	0.000	1	105.5720	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	O(C[6,6]C[3,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[3,6]C[6,6]2)(H)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7980	0.000	1	105.7980	0.000	1	106.6467	7.707	3	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.3940	0.000	1	104.3940	0.000	1	106.6467	7.707	3	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.7480	0.000	1	109.7480	0.000	1	106.6467	7.707	3	106.8247	4.297	6	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	O(C[6,6]C[6,6]2C)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[6,6]C[6,6]2C)(CH3)	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.6420	0.000	1	105.6420	0.000	1	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.4270	0.000	1	104.7390	1.408	4	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8435	1.125	2	104.7390	1.408	4	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8420	0.000	1	104.7390	1.408	4	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.5970	0.000	1	106.5970	0.000	1	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3420	0.000	1	109.3420	0.000	1	105.7910	3.656	7	106.2480	4.105	9	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	O(C[6,6]C[3,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[3,6]C[6,6]2)(H)	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	O(C[6,6]C[6,6]2C)(H)	106.4620	0.000	1	106.9217	0.200	3	106.9338	3.520	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	O(C[6,6]C[6,6]2C)(H)	107.1515	0.289	2	106.9217	0.200	3	106.9338	3.520	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)2(CH3)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6]2H)2(CH3)(OH){1|N<3>,1|S<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	O(C[6,6]C[6,6]2C)(H)	106.9520	3.698	2	106.9520	13.676	2	106.9338	3.520	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H){3|O<2>,4|H<1>,6|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	103.2950	0.000	1	103.2950	0.000	1	108.7948	9.701	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.6350	0.000	1	109.6350	0.000	1	108.7948	9.701	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]O)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	109.8130	0.000	1	109.8130	0.000	1	108.7948	9.701	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	110.3120	0.000	1	110.3120	0.000	1	108.7948	9.701	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)2(C[6]C[6,6]HH)(H){3|C<3>,5|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	110.9190	0.000	1	110.9190	0.000	1	108.7948	9.701	5	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.9840	0.000	1	108.9840	0.000	1	108.0100	8.175	3	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	110.2550	0.000	1	110.2550	0.000	1	108.0100	8.175	3	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	104.7910	0.000	1	104.7910	0.000	1	108.0100	8.175	3	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.8047	0.150	3	107.8047	0.023	3	107.3092	0.997	4	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8230	0.000	1	105.8230	0.000	1	107.3092	0.997	4	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.1510	0.000	1	103.1510	0.000	1	103.1510	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.6160	0.000	1	105.6160	0.000	1	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.9087	0.417	3	106.9087	0.174	3	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0390	0.000	1	110.0390	0.000	1	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]N[6]CH)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6020	0.000	1	109.6020	0.000	1	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.4505	3.285	2	104.6373	7.378	3	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.0110	0.000	1	104.6373	7.378	3	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.9575	1.322	2	110.9575	1.747	2	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5635	0.442	4	107.7343	0.192	10	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.7947	0.568	3	107.7343	0.192	10	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.9017	0.379	3	107.7343	0.192	10	107.5787	4.148	21	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.4420	0.000	1	106.4420	0.000	1	106.4420	0.000	1	107.8660	5.204	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	106.4240	1.655	2	106.4240	2.738	2	106.4240	2.738	2	106.4240	2.738	2	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CN){2|C<3>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8862	1.883	12	106.8320	3.021	14	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.5070	0.140	2	106.8320	3.021	14	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.6930	0.000	1	108.6930	0.000	1	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.1063	2.197	10	107.1063	4.826	10	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.3990	0.000	1	104.3990	0.000	1	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.6000	2.226	2	106.7072	2.166	9	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){2|C<4>,2|O<2>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.7379	1.434	7	106.7072	2.166	9	106.8619	3.243	35	106.9116	3.334	38	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:S-2:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(SN)	O(C[6,6]C[6,6]C[6]2)(CCHH)	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(SN){2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(CCHH)	102.4330	0.000	1	102.4330	0.000	1	102.4330	0.000	1	102.4330	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	O(C[6,6]C[6,6]2C)(H)	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(COO)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|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]HH)(COO){1|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	103.8180	0.000	1	103.8180	0.000	1	103.8180	0.000	1	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]N[6]HH)(C[6]C[6]O){5|C<4>,7|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8180	0.000	1	108.0027	7.629	3	108.3148	5.475	4	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,9|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.5950	0.211	2	108.0027	7.629	3	108.3148	5.475	4	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO){4|C<4>,9|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2510	0.000	1	109.2510	0.000	1	108.3148	5.475	4	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	108.1619	6.037	8	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.5625	2.214	2	106.5625	4.902	2	106.5625	4.902	2	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3875	0.052	2	109.3875	0.003	2	109.3875	0.003	2	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.5750	0.000	1	106.4425	6.975	2	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3100	0.000	1	106.4425	6.975	2	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2690	0.000	1	108.4712	1.336	4	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6540	0.000	1	108.4712	1.336	4	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2440	0.000	1	108.4712	1.336	4	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.7180	0.000	1	108.4712	1.336	4	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.2660	0.000	1	107.8157	5.178	3	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.0905	0.777	2	107.8157	5.178	3	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.4253	2.570	3	106.4253	6.606	3	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.9730	0.000	1	104.9730	0.000	1	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2215	0.549	6	106.2215	0.302	6	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.0500	0.000	1	106.0500	0.000	1	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8545	2.109	6	108.8545	4.448	6	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.4440	0.000	1	109.4440	0.000	1	107.4228	3.884	27	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.4200	0.095	2	104.4200	0.009	2	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.3030	0.000	1	110.3030	0.000	1	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.9420	0.404	2	104.0067	0.094	3	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.1360	0.000	1	104.0067	0.094	3	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.1480	0.000	1	106.1480	0.000	1	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.2810	0.000	1	110.2810	0.000	1	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2820	0.000	1	106.2820	0.000	1	105.9860	6.757	9	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.2821	4.519	47	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	O(C[6,6]C[6,6]C[6]2)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(OH)	102.0020	0.000	1	102.0020	0.000	1	102.0020	0.000	1	102.0020	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6,6]C[6,6]C[6]2)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	O(C[6,6]C[6,6]C[6]2)(SiC3)	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	108.8033	8.758	653	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	109.5974	0.381	5	109.7767	0.309	6	109.7767	0.309	6	108.8774	3.311	13	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	110.6730	0.000	1	109.7767	0.309	6	109.7767	0.309	6	108.8774	3.311	13	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|F<1>,2|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	108.9760	0.000	1	108.9760	0.000	1	108.1066	4.862	7	108.8774	3.311	13	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	107.0036	0.435	5	107.0036	0.189	5	108.1066	4.862	7	108.8774	3.311	13	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	112.7520	0.000	1	112.7520	0.000	1	108.1066	4.862	7	108.8774	3.311	13	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:4:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:C-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6,6]O[6,6]C[6]2)(CH3)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]O[6,6]C[6]2)(CH3)	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	108.2515	32.975	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:4:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]O[6,6]C[6]2)(CH3)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	O(C[6,6]O[6,6]C[6]2)(CH3)	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	108.2515	32.975	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	2:4:4:2:	4:4:2:1:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:1:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:3:4:2:	4:2:1:1:	4:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2{5|C<3>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	O(C[6,6]C[5a,6,6]C[6]2)(H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	O(C[6,6]C[5a,6,6]C[6]2)(H)	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2{1|N<2>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	109.8003	1.323	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[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>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.6680	0.000	1	108.6680	0.000	1	109.2165	0.602	2	109.8003	1.323	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	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>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.7650	0.000	1	109.7650	0.000	1	109.2165	0.602	2	109.8003	1.323	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8440	0.000	1	104.8440	0.000	1	105.4490	0.732	2	105.4490	0.732	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	106.0540	0.000	1	106.0540	0.000	1	105.4490	0.732	2	105.4490	0.732	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:3:2:	4:4:3:2:	4:1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6,6]N[6,6]C[6]2)(H)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	107.2655	1.502	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:3:2:	4:4:3:2:	4:1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6,6]N[6,6]C[6]2)(H)	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	107.2655	1.502	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:2:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	111.3620	0.000	1	111.3620	0.000	1	111.3620	0.000	1	111.3620	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.2552	0.750	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	107.2552	0.750	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8148	0.722	5	106.8148	0.521	5	106.8148	0.521	5	107.2552	0.750	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.2552	0.750	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2	O(C[6,6]N[5,6,6]C[6]2)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]N[5,6,6]C[6]2)(H)	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	107.2552	0.750	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	111.0710	0.000	1	111.0710	0.000	1	108.7790	3.171	4	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	108.4935	1.066	2	108.0150	1.255	3	108.7790	3.171	4	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	107.0580	0.000	1	108.0150	1.255	3	108.7790	3.171	4	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	111.4090	0.495	2	111.4090	0.245	2	111.4090	0.245	2	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	109.6380	0.000	1	109.6380	0.000	1	109.6320	0.000	2	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	109.6260	0.000	1	109.6260	0.000	1	109.6320	0.000	2	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	102.2870	0.000	1	102.2870	0.000	1	106.9448	11.768	5	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.6530	0.000	1	106.6530	0.000	1	106.9448	11.768	5	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8440	0.000	1	106.8440	0.000	1	106.9448	11.768	5	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.9730	0.000	1	111.9730	0.000	1	106.9448	11.768	5	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.9670	0.000	1	106.9670	0.000	1	106.9448	11.768	5	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	105.9050	0.000	1	105.9050	0.000	1	108.2509	6.646	7	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	107.3987	3.433	3	107.3987	11.782	3	108.2509	6.646	7	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	109.2450	0.000	1	109.8850	0.308	3	108.2509	6.646	7	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.1730	0.000	1	109.8850	0.308	3	108.2509	6.646	7	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.2370	0.000	1	109.8850	0.308	3	108.2509	6.646	7	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]N[5,6,6]C[6]2)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]N[5,6,6]C[6]2)(H)	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]N[5,6]C[6])(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]N[5,6]C[6])(H)	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	107.8310	0.000	1	107.8310	0.000	1	108.4215	0.697	2	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	109.0120	0.000	1	109.0120	0.000	1	108.4215	0.697	2	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	O(C[6,6]N[6,6]C[6]2)(H)	109.1925	0.040	2	109.1925	0.002	2	108.6828	2.502	6	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	110.0150	1.147	2	110.0150	1.315	2	108.6828	2.502	6	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	O(C[6,6]N[6,6]C[6]2)(H)	106.4290	0.000	1	106.4290	0.000	1	108.6828	2.502	6	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,3|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	107.2530	0.000	1	107.2530	0.000	1	108.6828	2.502	6	108.5195	5.018	31	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	110.9155	0.045	2	110.9155	0.002	2	110.9155	0.002	2	110.9155	0.002	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	O(C[6,6]C[6,6]2C[6])(H)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	107.6707	7.468	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.5010	0.000	1	104.5010	0.000	1	106.9463	8.053	3	107.6707	7.468	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2800	0.000	1	106.2800	0.000	1	106.9463	8.053	3	107.6707	7.468	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0580	0.000	1	110.0580	0.000	1	106.9463	8.053	3	107.6707	7.468	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	108.5910	4.374	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	108.5910	4.374	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.5910	4.374	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	107.4503	1.782	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	107.3364	1.459	5	107.3364	2.130	5	107.3364	2.130	5	107.4503	1.782	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.9870	0.000	1	112.6105	0.778	2	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.2340	0.000	1	112.6105	0.778	2	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.0090	0.000	1	113.0090	0.000	1	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.5437	3.769	3	109.5437	14.207	3	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.7960	0.000	1	112.5685	0.104	2	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.3410	0.000	1	112.5685	0.104	2	111.4998	6.829	8	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	O(C[6,6]O[6,6]C[6]2)(H)	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	111.1032	7.391	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:4:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	106.8360	0.045	2	106.8360	0.002	2	106.8360	0.002	2	106.8360	0.002	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:3:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	O(C[6,6]N[6,6]C[6]2)(H)	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	112.7800	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:2:4:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.9885	0.518	2	108.9885	0.269	2	108.9885	0.269	2	109.8730	2.481	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:2:4:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	109.8730	2.481	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:3:1:1:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	110.8567	0.767	3	110.8567	0.588	3	110.8567	0.588	3	110.8567	0.588	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	103.1890	0.000	1	103.1890	0.000	1	103.1890	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6,6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	109.9930	0.559	2	109.9700	0.158	3	109.9700	0.158	3	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	109.9240	0.000	1	109.9700	0.158	3	109.9700	0.158	3	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	O(C[6,6]C[6,6]2C[6])(H)	107.0700	2.971	2	107.0700	8.828	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	106.3310	4.394	2	106.3310	19.307	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	103.8890	0.000	1	106.6635	15.396	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	109.4380	0.000	1	106.6635	15.396	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	102.7220	0.000	1	102.7220	0.000	1	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	110.7490	0.305	2	110.7490	0.093	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|C<3>}	O(C[6,6]C[6,6]2C[6])(H)	105.8380	0.000	1	105.8455	0.000	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.8530	0.000	1	105.8455	0.000	2	106.9127	9.375	11	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	110.9350	0.481	3	110.9350	0.231	3	110.9350	0.231	3	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	108.5175	8.985	24	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	104.9650	0.260	2	104.4143	2.287	4	104.4143	2.287	4	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	103.8635	2.362	2	104.4143	2.287	4	104.4143	2.287	4	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	106.3685	0.395	4	106.3685	0.156	4	106.3685	0.156	4	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	109.4900	3.763	2	109.4900	14.162	2	109.8933	7.569	3	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	110.7000	0.000	1	110.7000	0.000	1	109.8933	7.569	3	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	113.5280	0.000	1	113.5280	0.000	1	110.6283	8.215	3	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.1785	1.954	2	109.1785	3.817	2	110.6283	8.215	3	107.4783	9.896	14	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(CH3)	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	3:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2{1|H<1>,3|C<3>,3|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	115.0115	0.453	4	115.0115	0.206	4	115.0115	0.206	4	115.0115	0.206	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH){3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]C[6]O[6])(H)	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	107.2220	0.717	2	107.2220	0.514	2	107.2220	0.514	2	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	111.2140	0.000	1	111.2140	0.000	1	111.0123	0.036	3	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	110.9115	0.101	2	110.9115	0.010	2	111.0123	0.036	3	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.5645	0.022	2	113.5645	0.000	2	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.1570	0.000	1	111.1570	0.000	1	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.4180	0.000	1	110.4180	0.000	1	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.3980	0.000	1	113.3980	0.000	1	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.5150	0.057	2	111.5150	0.003	2	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.4230	0.731	4	112.4230	0.534	4	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	113.3350	0.000	1	113.3350	0.000	1	112.3466	1.200	12	111.5535	3.549	18	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[3x6]C[6]O[6])(H)	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	112.8110	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	108.3130	0.000	2	108.3130	0.000	2	108.3130	0.000	2	108.0373	0.228	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	108.0373	0.228	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	O(C[6,6]C[3,6,6]C[6]2)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[3,6,6]C[6]2)(H)	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	107.3263	2.312	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	108.6220	0.150	2	108.6220	0.022	2	108.6220	0.022	2	107.3263	2.312	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7170	0.000	1	105.7170	0.000	1	105.7170	0.000	1	107.3263	2.312	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:3:2:1:	4:1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	O(C[6,6]C[5,3x6]C[6]2)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	O(C[6,6]C[5,3x6]C[6]2)(H)	103.1810	0.000	1	103.1810	0.000	1	103.1810	0.000	1	103.1810	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6,6]C[3x6]C[6]2)(H)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	104.5590	0.000	1	104.5590	0.000	1	104.5590	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[5,6,6]C[6]N[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[6]N[6])(H)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	112.1230	0.000	1	112.1230	0.000	1	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.9690	0.092	2	107.9690	0.008	2	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8110	0.058	2	108.7207	0.026	3	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.5400	0.000	1	108.7207	0.026	3	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.1910	0.000	1	109.1910	0.000	1	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3683	0.739	3	108.3227	0.372	4	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1860	0.000	1	108.3227	0.372	4	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3280	0.000	1	108.8395	0.477	2	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3510	0.000	1	108.8395	0.477	2	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8390	1.342	2	104.8390	1.801	2	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8590	0.590	2	108.9735	0.157	4	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.0880	0.266	2	108.9735	0.157	4	108.4187	2.565	19	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	106.1600	0.000	1	106.1600	0.000	1	105.8530	0.188	2	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	105.5460	0.000	1	105.5460	0.000	1	105.8530	0.188	2	108.1842	3.705	27	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]N[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(OH)	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-3:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(NOO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(NOO)	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	104.2195	0.496	2	104.2195	0.246	2	104.0872	0.137	5	104.0872	0.137	5	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	104.4010	0.000	1	104.4010	0.000	1	104.0872	0.137	5	104.0872	0.137	5	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O(C[6,6]C[6,6]C[6]2)(CH3)	103.7980	0.000	2	103.7980	0.000	2	104.0872	0.137	5	104.0872	0.137	5	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.3453	12.202	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	108.3453	12.202	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	108.3453	12.202	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8350	0.000	1	108.8350	0.000	1	109.3700	0.572	2	109.3700	0.572	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9050	0.000	1	109.9050	0.000	1	109.3700	0.572	2	109.3700	0.572	2	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	104.7070	0.000	1	104.7070	0.000	1	104.7070	0.000	1	104.7070	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:2:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	102.2910	0.000	1	102.2910	0.000	1	102.2910	0.000	1	102.2910	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	O(C[6,6]C[3,6,6]C[3,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[3,6,6]C[3,6]C[6])(H)	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6]2)(H)	104.9700	0.000	1	104.9700	0.000	1	104.9700	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	107.9590	0.000	1	107.9590	0.000	1	107.9895	0.002	2	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	108.0200	0.000	1	108.0200	0.000	1	107.9895	0.002	2	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	108.7870	0.000	1	108.7870	0.000	1	109.4220	0.806	2	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	110.0570	0.000	1	110.0570	0.000	1	109.4220	0.806	2	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2287	2.996	3	106.2287	8.976	3	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2290	0.000	1	109.2290	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	105.0950	0.000	1	105.0950	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{3|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.2350	0.000	1	110.2350	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.9350	0.000	1	104.9350	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0720	2.967	2	110.0720	8.803	2	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.6920	0.000	1	108.1230	0.648	2	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.5540	0.000	1	108.1230	0.648	2	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7790	0.000	1	105.7790	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.8690	0.000	1	109.8690	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.5170	0.000	1	104.5170	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.6644	2.049	12	108.6644	4.199	12	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.8860	0.000	1	107.8860	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9070	0.000	1	109.9070	0.000	1	108.0893	5.379	28	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	108.2169	5.545	38	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	106.4753	11.425	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.4130	0.000	1	103.4130	0.000	1	106.7575	22.371	2	106.4753	11.425	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.1020	0.000	1	110.1020	0.000	1	106.7575	22.371	2	106.4753	11.425	3	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:3:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7780	0.000	1	105.7780	0.000	1	106.2265	0.942	4	106.2265	0.942	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.9540	1.220	2	105.9540	1.490	2	106.2265	0.942	4	106.2265	0.942	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2200	0.000	1	107.2200	0.000	1	106.2265	0.942	4	106.2265	0.942	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8850	0.034	2	106.2917	5.937	3	106.6415	4.447	4	106.6415	4.447	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.1050	0.000	1	106.2917	5.937	3	106.6415	4.447	4	106.6415	4.447	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.6910	0.000	1	107.6910	0.000	1	106.6415	4.447	4	106.6415	4.447	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	105.1990	0.000	1	105.1990	0.000	1	105.5747	0.359	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	106.2660	0.000	1	106.2660	0.000	1	105.5747	0.359	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[3,6]C[6,6]C[6])(H)	105.2590	0.000	1	105.2590	0.000	1	105.5747	0.359	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	108.7370	0.000	1	108.7370	0.000	1	109.3897	0.321	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	109.6840	0.000	1	109.6840	0.000	1	109.3897	0.321	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	109.7480	0.000	1	109.7480	0.000	1	109.3897	0.321	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[5,6]HH)(H)2{8|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	109.0810	0.137	2	109.0810	0.019	2	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	110.3245	0.029	2	110.3245	0.001	2	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	108.4390	1.017	2	108.4390	1.034	2	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	108.6140	0.000	1	108.6140	0.000	1	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	110.7585	1.709	2	110.7585	2.921	2	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	105.9305	0.214	2	105.9305	0.046	2	108.8801	3.319	11	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	107.0020	0.000	2	107.0020	0.000	2	107.0020	0.000	2	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	109.9810	0.000	1	108.7403	0.714	7	108.5784	0.822	8	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	108.3264	0.548	5	108.7403	0.714	7	108.5784	0.822	8	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	109.5690	0.000	1	108.7403	0.714	7	108.5784	0.822	8	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	107.4450	0.000	1	107.4450	0.000	1	108.5784	0.822	8	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	104.4170	0.000	1	104.4170	0.000	1	107.9003	9.302	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	109.1930	0.000	1	109.1930	0.000	1	107.9003	9.302	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	110.0910	0.000	1	110.0910	0.000	1	107.9003	9.302	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	110.0300	0.000	1	110.0300	0.000	1	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	105.8910	0.000	1	105.2605	0.795	2	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	104.6300	0.000	1	105.2605	0.795	2	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	108.9950	0.000	1	108.9950	0.000	1	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]2C[6])(H)	103.7950	0.000	1	103.7950	0.000	1	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	109.0540	0.000	1	109.0540	0.000	1	107.0658	6.895	6	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.3820	0.320	2	107.3820	0.102	2	107.2950	0.074	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.1210	0.000	1	107.1210	0.000	1	107.2950	0.074	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.4570	0.000	1	104.4570	0.000	1	108.4481	5.606	16	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)2(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8467	2.300	12	108.9154	4.508	14	108.4481	5.606	16	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)2(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3280	0.064	2	108.9154	4.508	14	108.4481	5.606	16	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8970	0.000	1	105.8970	0.000	1	108.4481	5.606	16	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.4300	1.485	3	104.4300	2.207	3	104.4300	2.207	3	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	103.8270	0.000	1	103.8270	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9310	0.000	1	109.9310	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.7225	1.863	2	106.7225	3.472	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.4440	0.000	1	109.4440	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.4050	0.000	1	106.2963	5.904	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8450	0.000	1	106.2963	5.904	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	103.6390	0.000	1	106.2963	5.904	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.7760	0.510	3	108.7760	0.260	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.8980	0.000	1	107.8980	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1813	0.692	6	108.1813	0.479	6	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.5780	0.000	1	109.5780	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.3300	1.684	7	106.1164	2.796	8	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.6210	0.000	1	106.1164	2.796	8	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8000	0.000	1	108.8000	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.6790	0.408	3	110.6790	0.167	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.9414	1.282	7	107.3076	2.482	8	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.8710	0.000	1	107.3076	2.482	8	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.3770	0.000	1	110.3770	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.7520	0.000	1	109.7520	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6510	0.000	1	109.6510	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.4410	0.000	1	109.8635	0.667	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2860	0.000	1	109.8635	0.667	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.5530	0.000	1	109.5530	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.7680	0.000	1	105.7680	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2290	0.874	2	109.2060	0.384	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.1600	0.000	1	109.2060	0.384	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.2770	0.000	1	108.2770	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3450	0.000	1	108.3450	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6950	0.201	2	108.3455	5.692	4	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.7880	0.000	1	108.3455	5.692	4	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2040	0.000	1	108.3455	5.692	4	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2{1|O<2>,2|H<1>,8|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1780	0.000	1	108.1780	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.4500	0.000	1	111.4500	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	103.7110	0.000	1	103.7110	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.5320	0.000	1	105.5320	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.0340	0.000	1	110.0340	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.9690	0.000	1	108.9690	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6220	0.000	1	109.6220	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.3877	0.361	3	108.3877	0.130	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.4960	0.000	1	109.8870	0.742	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.2780	0.000	1	109.8870	0.742	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.1220	1.318	2	105.1220	1.737	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.7848	1.439	4	108.7848	2.070	4	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.8810	0.229	4	109.1450	0.328	10	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6963	0.858	3	109.1450	0.328	10	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.9457	0.063	3	109.1450	0.328	10	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6910	1.051	3	109.6910	1.104	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1273	0.732	3	108.1273	0.536	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2665	0.243	2	107.2665	0.059	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.6820	0.000	1	109.6820	0.000	1	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1047	2.271	10	108.1047	5.156	10	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.3630	0.000	1	108.2480	4.316	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.6905	2.601	2	108.2480	4.316	3	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.4215	0.433	2	109.2595	3.231	16	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.0935	1.865	14	109.2595	3.231	16	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.9320	0.150	2	110.9320	0.022	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.1555	3.272	2	106.1555	10.705	2	108.3533	3.700	125	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	108.2310	3.924	189	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(OH)	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.8228	2.763	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CCHH)	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|S<2>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(CCHH)	110.0275	0.521	2	110.0275	0.272	2	110.5667	1.008	3	109.8228	2.763	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(CH3)	111.6450	0.000	1	111.6450	0.000	1	110.5667	1.008	3	109.8228	2.763	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	O(C[6,6]C[6,6]C[6]2)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(SiC3)	106.8500	0.000	1	106.8500	0.000	1	108.8800	8.242	2	109.8228	2.763	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:Si-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6,6]C[6,6]C[6]2)(SiC3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(SiC3)	110.9100	0.000	1	110.9100	0.000	1	108.8800	8.242	2	109.8228	2.763	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6]2)(H)	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	109.2505	1.469	2	109.2505	2.157	2	109.2505	2.157	2	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	O(C[6,6]C[6,6]2C[6])(H)	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	102.6635	0.074	2	102.6635	0.006	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	98.8301	0.000	1	98.8301	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	99.7599	0.000	1	102.6155	10.400	6	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	99.1632	0.000	1	102.6155	10.400	6	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	100.6740	0.000	1	102.6155	10.400	6	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.3653	1.654	3	102.6155	10.400	6	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.5273	0.815	4	105.5273	0.664	4	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.2775	0.213	2	104.2775	0.045	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	104.8440	0.000	1	104.8440	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.5220	0.000	1	109.5220	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2470	0.000	1	107.2470	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8830	0.000	1	106.6310	0.127	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.3790	0.000	1	106.6310	0.127	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.2530	0.000	1	106.2530	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.5310	0.092	2	108.5310	0.008	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.0699	1.178	10	108.0699	1.388	10	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.7595	0.070	2	104.7595	0.005	2	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.0780	0.000	1	111.0780	0.000	1	105.8333	9.017	36	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	103.5040	0.000	1	103.5040	0.000	1	103.5040	0.000	1	106.0960	8.842	43	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6,6]C[6,6]C[6]2)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(OH)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCO)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	110.1130	0.000	1	110.1130	0.000	1	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.3280	0.000	1	110.3280	0.000	1	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.9545	0.723	2	109.6060	0.626	3	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.9090	0.000	1	109.6060	0.626	3	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.5290	0.000	1	109.5290	0.000	1	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.4560	0.000	1	107.4560	0.000	1	109.4634	1.086	7	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.1950	0.000	1	106.1950	0.000	1	106.7007	2.896	3	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	108.5980	0.000	1	108.5980	0.000	1	106.7007	2.896	3	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.3090	0.000	1	105.3090	0.000	1	106.7007	2.896	3	108.6346	3.149	10	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	103.8640	0.000	1	103.8640	0.000	1	103.8640	0.000	1	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6,6]C[6,6]C[6]2)(H)	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	103.4077	0.680	3	103.4077	0.462	3	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.7550	0.256	2	106.7550	0.066	2	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.1870	0.000	1	106.1870	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	108.0603	1.074	3	108.0603	1.154	3	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.2040	0.000	1	111.2040	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	110.2730	0.000	1	110.2730	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	111.5010	0.000	1	111.5010	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.8830	0.000	1	107.8830	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8700	0.000	1	105.8700	0.000	1	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.9030	2.813	2	106.4023	4.708	3	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.4010	0.000	1	106.4023	4.708	3	107.0611	6.706	17	107.0220	7.058	20	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	102.1077	0.218	3	102.1077	0.047	3	103.1045	4.006	4	103.1045	4.006	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	106.0950	0.000	1	106.0950	0.000	1	103.1045	4.006	4	103.1045	4.006	4	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	104.2900	0.573	2	104.2900	0.328	2	104.8750	0.507	6	104.8750	0.507	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.8210	0.000	1	105.8210	0.000	1	104.8750	0.507	6	104.8750	0.507	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	105.5860	0.000	1	105.5860	0.000	1	104.8750	0.507	6	104.8750	0.507	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.6050	0.000	1	104.6050	0.000	1	104.8750	0.507	6	104.8750	0.507	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	104.6580	0.000	1	104.6580	0.000	1	104.8750	0.507	6	104.8750	0.507	6	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.7350	0.130	2	107.7350	0.017	2	107.4204	0.337	8	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]2)(H)	107.2700	0.000	1	107.2700	0.000	1	107.4204	0.337	8	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.5220	0.000	1	107.3246	0.519	5	107.4204	0.337	8	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	107.7463	0.585	3	107.3246	0.519	5	107.4204	0.337	8	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6]2)(H)	106.8620	0.000	1	107.3246	0.519	5	107.4204	0.337	8	107.6917	0.957	9	108.1607	6.904	562	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	O(C[6,6]C[6,6]C[6x6]H)(H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6x6]H)(H)	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	109.8124	11.507	5	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6,6]	C[6x6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[6x6]-4:C[6,6]-3:O-2:O-2:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	O(C[6,6]C[6,6]C[6x6]O)(CH3)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2{1|C<3>,2|H<1>,4|C<4>}	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]C[6x6]O)(CH3)	109.7417	3.913	4	109.7417	15.309	4	109.7417	15.309	4	109.7417	15.309	4	109.8124	11.507	5	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	O(C[6]C[5a,6]C[3x6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[3x6]H)(H)	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:2:2:1:	4:3:4:4:	4:1:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	O(C[6]C[3x6]O[6]H)(H)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H)	O(C[6]C[3x6]O[6]H)(CH3)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H){1|H<1>,2|O<2>,4|C<3>}	C[3x6](C[3x6]C[6,6a]O[6]2)(C[6,6]C[6,6a]2H)(C[6]O[6]HO)(H){6|C<3>}	O(C[6]C[3x6]O[6]H)(CH3)	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[3x6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){5|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO){1|C<3>,5|C<4>,7|H<1>}	O(C[6]C[3x6]O[6]H)(H)	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	3:2:4:4:	4:1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[3x6]C[6]H)(H)	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]HO)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5,4x6]C[5,6,6]N[5,6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O(C[6]C[6,6a]C[3x6]H)(H)	112.5970	0.000	1	112.5970	0.000	1	110.0044	4.595	5	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[3x6]H)(H)	109.2793	2.226	3	109.3563	3.326	4	110.0044	4.595	5	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]HO)(H){1|C<4>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[3x6]H)(H)	109.5870	0.000	1	109.3563	3.326	4	110.0044	4.595	5	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	O(C[6]C[3x6]C[6]H)(H)	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	O(C[6]C[3x6]C[6]H)(H)	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	109.9501	4.020	8	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:2:1:	4:4:4:3:	4:4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[6]-4:C-4:	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	O(C[6]C[3x6]C[6]H)(CHHO)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	O(C[6]C[3x6]C[6]H)(CHHO)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H)	O(C[6]C[6,6a]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[3x6]C)(H)	107.7710	0.151	2	107.7710	0.023	2	107.7710	0.023	2	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[3x6]C[6]C)(H)	111.0355	1.467	2	111.0355	2.153	2	110.2088	1.654	6	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6]C[3x6]C[6]C)(H)	108.4330	0.000	1	108.4330	0.000	1	110.2088	1.654	6	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[3x6]C[6]C)(H)	109.9000	0.926	2	109.9000	0.858	2	110.2088	1.654	6	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[3x6]C[6]C)(H)	110.9490	0.000	1	110.9490	0.000	1	110.2088	1.654	6	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]C)(H)	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	109.6726	2.199	9	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	3:2:2:4:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[3x6]C[6]H)(H)	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	3:2:2:4:	4:4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6]-4:C-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	O(C[6]C[3x6]C[6]H)(CH3)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6]C[3x6]C[6]H)(CH3)	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	O(C[6]C[3x6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	O(C[6]C[3x6]C[6,6]H)(H)	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(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])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	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(C[6]C[3x6]C[6]H)(H)	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	107.4860	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HO)(H){2|O<1>,4|H<1>,7|C<4>}	O(C[6]C[3x6]C[6]H)(H)	109.9225	1.439	2	109.9225	2.071	2	109.9225	2.071	2	110.8650	4.609	5	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|O<2>,9|H<1>}	O(C[6]C[3x6]C[6]H)(H)	111.2215	3.600	2	111.2215	12.959	2	111.2215	12.959	2	110.8650	4.609	5	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[3x6]C[6]H)(H)	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	110.8650	4.609	5	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[3x6]C[6]H)(H)	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	109.7284	3.208	33	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-4:C[6,6]-3:	C[6]-4:H-1:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O)	O(C[6]C[6,6a]C[4x6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[5,6]O[6,6]H)(C[6]C[6,6a]HO)(C[6,6]C[6,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6a]C[4x6]H)(H)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:3:2:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(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)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	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(C[6]C[4x6]C[6]H)(H)	114.1740	0.000	1	114.1740	0.000	1	114.2000	0.001	2	114.2000	0.001	2	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:3:2:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(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)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	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(C[6]C[4x6]C[6]H)(H)	114.2260	0.000	1	114.2260	0.000	1	114.2000	0.001	2	114.2000	0.001	2	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO)	O(C[6]C[4x6]C[5,6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[4x6](C[5,6,6]C[5,6,6]O[5]H)(C[3x6]C[6,6a]O[6,6]H)(C[6,6]C[6,6]O)(C[6]C[5,6]HO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[4x6]C[5,6]H)(H)	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[5,6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	O(C[6]C[4x6]C[6]H)(H)	111.2290	1.362	4	111.2290	1.855	4	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	O(C[6]C[4x6]C[6]H)(H)	111.5590	0.000	1	111.2348	5.286	6	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	O(C[6]C[4x6]C[6]H)(H)	111.8420	0.000	1	111.2348	5.286	6	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	O(C[6]C[4x6]C[6]H)(H)	110.0090	3.750	2	111.2348	5.286	6	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HO){2|O<2>,4|H<1>,7|C<4>}	O(C[6]C[4x6]C[6]H)(H)	111.9950	2.780	2	111.2348	5.286	6	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[4x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO)	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HO)(C[6]C[6]HO){1|C<3>,6|C<4>,6|H<1>}	O(C[6]C[4x6]C[6]H)(H)	115.4520	0.000	1	115.4520	0.000	1	111.6161	4.818	11	111.6161	4.818	11	111.5879	6.042	15	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[5x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3x6]-4:C[4x6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO)	O(C[6]C[5x6]C[6]H)(CH3)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[6,6]N[6]H)(C[4x6]C[6,6]2H)(C[6]C[6]HO){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	O(C[6]C[5x6]C[6]H)(CH3)	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:3:3:2:	4:1:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	O(C[6]C[5a,6]C[6,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6,6]H)(H)	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:3:3:4:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:3:4:4:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)(C[6]C[6]HH)2{1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	113.3360	0.000	1	113.3360	0.000	1	113.3360	0.000	1	111.1370	9.671	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	111.1370	9.671	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:3:4:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	111.9675	0.812	2	111.9675	0.660	2	111.9675	0.660	2	111.9675	0.660	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.8660	0.146	2	110.8430	0.012	3	111.0453	0.067	6	111.0453	0.067	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.7970	0.000	1	110.8430	0.012	3	111.0453	0.067	6	111.0453	0.067	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6,6]H)(H)	111.0500	0.000	1	111.2477	0.034	3	111.0453	0.067	6	111.0453	0.067	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	111.3465	0.093	2	111.2477	0.034	3	111.0453	0.067	6	111.0453	0.067	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	106.9120	0.000	1	106.9120	0.000	1	109.8210	3.095	5	110.0245	2.725	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.5482	0.775	4	110.5482	0.601	4	109.8210	3.095	5	110.0245	2.725	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	110.0245	2.725	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6,6]C[6,6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6,6]H)(CH3)	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6,6]C)(H)	105.4780	0.000	3	105.4780	0.000	3	105.4780	0.000	3	105.4780	0.000	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	O(C[6]C[5a,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6,6]C)(H)	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H){3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6,6]C)(H)	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	3:4:4:1:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	O(C[6]C[6,6]O[6]H)(CC3)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]O[6]H)(CC3)	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	107.7230	0.000	1	107.7230	0.000	1	106.3587	1.438	3	106.3587	1.438	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	105.6765	0.289	2	105.6765	0.084	2	106.3587	1.438	3	106.3587	1.438	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:2:2:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:C-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	110.2700	0.000	1	110.2333	0.105	3	110.2333	0.105	3	110.2333	0.105	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:2:2:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:S[6]-2:S[6]-2:	C[6]-4:C-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){2|H<1>,5|C<4>}	C[6,6](C[6]C[6]HH)(C[6]O[6]HO)(S[6]C[6])2{2|C<4>,6|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	110.2150	0.457	2	110.2333	0.105	3	110.2333	0.105	3	110.2333	0.105	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]O[6]H)(H)	114.5855	1.026	2	114.5855	1.053	2	111.5935	12.493	4	111.5935	12.493	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H){6|C<3>}	O(C[6]C[6,6]O[6]H)(H)	108.6015	0.787	2	108.6015	0.619	2	111.5935	12.493	4	111.5935	12.493	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	110.8450	0.884	2	110.8450	0.781	2	110.8450	0.781	2	110.8450	0.781	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:2:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	O(C[6]C[6,6]O[6]H)(H)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	109.7850	2.775	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	O(C[6]C[6,6]O[6]H)(H)	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	109.7850	2.775	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	110.4774	3.663	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	109.6240	0.000	1	110.6790	2.226	2	110.6790	2.226	2	110.4774	3.663	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.7340	0.000	1	110.6790	2.226	2	110.6790	2.226	2	110.4774	3.663	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.3270	0.000	1	110.3270	0.000	1	110.3270	0.000	1	110.4774	3.663	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	O(C[6]C[6,6]N[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6,6]H)(H)	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	110.4774	3.663	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	110.2985	1.026	2	110.2985	1.053	2	110.6382	0.585	4	110.6382	0.585	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.3250	0.000	1	111.3250	0.000	1	110.6382	0.585	4	110.6382	0.585	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6310	0.000	1	110.6310	0.000	1	110.6382	0.585	4	110.6382	0.585	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	O(C[6]C[6,6]2H)(H)	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	110.8373	5.444	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.7210	2.490	2	111.7210	6.202	2	111.7210	6.202	2	110.8373	5.444	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.0010	0.000	1	113.0010	0.000	1	111.9698	0.543	6	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.5233	0.308	4	111.7636	0.360	5	111.9698	0.543	6	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.7250	0.000	1	111.7636	0.360	5	111.9698	0.543	6	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.7170	0.000	1	109.7170	0.000	1	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.9645	1.456	2	113.9645	2.120	2	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4060	0.000	1	112.2505	1.426	2	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,5|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0950	0.000	1	112.2505	1.426	2	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	115.6520	0.000	1	113.4355	9.826	2	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.2190	0.000	1	113.4355	9.826	2	112.7169	4.492	7	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.9705	1.019	2	110.9705	1.038	2	110.7475	8.481	8	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	116.2570	0.000	1	116.2570	0.000	1	110.7475	8.481	8	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.5895	0.455	2	111.5895	0.207	2	110.7475	8.481	8	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.3590	0.000	1	108.3590	0.000	1	110.7475	8.481	8	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1220	2.599	2	108.1220	6.756	2	110.7475	8.481	8	111.7532	5.195	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	114.7915	0.534	2	114.7915	0.285	2	114.7915	0.285	2	112.1035	16.626	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.1035	16.626	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2O)(C[6]C[6]HO)(H){3|C<3>,3|O<1>}	O(C[6]C[6,6]C[6]H)(CH3)	106.1990	0.000	1	106.1990	0.000	1	106.1990	0.000	1	112.1035	16.626	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	112.3862	5.596	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.3370	0.000	1	113.3370	0.000	1	110.9020	11.858	2	112.3862	5.596	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(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]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.4670	0.000	1	108.4670	0.000	1	110.9020	11.858	2	112.3862	5.596	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	114.0965	0.257	2	114.0965	0.066	2	114.0965	0.066	2	112.3862	5.596	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	112.8680	0.000	1	112.4705	0.316	2	112.4705	0.316	2	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	112.0730	0.000	1	112.4705	0.316	2	112.4705	0.316	2	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.9090	0.000	1	112.9090	0.000	1	111.9882	1.805	6	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.6710	0.001	2	111.8650	1.949	3	111.9882	1.805	6	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.2530	0.000	1	111.8650	1.949	3	111.9882	1.805	6	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.1410	0.000	1	111.7125	4.081	2	111.9882	1.805	6	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2840	0.000	1	111.7125	4.081	2	111.9882	1.805	6	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.5770	0.000	1	112.5770	0.000	1	112.4405	0.037	2	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.3040	0.000	1	112.3040	0.000	1	112.4405	0.037	2	112.1267	0.927	12	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(CH3)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:2:	3:2:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2{1|S<4>,3|C<3>}	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(C[6]C[6,6]C[6]O)(CH3)	110.1055	4.801	2	110.1055	23.045	2	110.1055	23.045	2	110.1055	23.045	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:2:	4:3:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]O)(CH3)	108.2075	8.596	2	108.2075	73.896	2	108.2075	73.896	2	108.2075	73.896	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]O)(CH3)	110.4915	3.833	2	110.4915	14.694	2	110.4915	14.694	2	110.4915	14.694	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:3:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]C)(H)	106.0960	0.803	2	106.0960	0.645	2	106.0960	0.645	2	106.0960	0.645	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-3:C-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]C)(H)	104.7960	0.000	1	104.7960	0.000	1	104.7960	0.000	1	105.1735	0.285	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[6,6]-4:N[6]-3:C-3:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H)	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(C[6]N[6]CO)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6]N[6]C)(H)	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	105.1735	0.285	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	2:4:4:2:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	O(C[6]C[6,6]C[6a]C[6])(H)	109.6960	0.000	1	109.6960	0.000	1	109.6960	0.000	1	110.9557	1.220	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]N[6]C)(H)	111.5855	0.244	2	111.5855	0.060	2	111.5855	0.060	2	110.9557	1.220	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6,6]C)(H)	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	105.2425	1.843	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	103.4850	0.000	1	103.4850	0.000	1	104.8410	1.798	3	105.2425	1.843	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	105.5190	0.915	2	105.5190	0.837	2	104.8410	1.798	3	105.2425	1.843	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6,6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6]C)(CH3)	108.5955	4.417	2	108.5955	19.513	2	108.5955	19.513	2	108.5955	19.513	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4290	0.000	1	109.6624	0.858	7	109.6624	0.858	7	109.6624	0.858	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6410	0.000	1	109.6624	0.858	7	109.6624	0.858	7	109.6624	0.858	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.7940	0.000	1	109.6624	0.858	7	109.6624	0.858	7	109.6624	0.858	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.9433	0.502	4	109.6624	0.858	7	109.6624	0.858	7	109.6624	0.858	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	109.2190	0.844	4	109.2190	0.712	4	109.2190	0.712	4	109.2190	0.712	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	2:4:4:2:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:Si-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:2:2:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6,6]C[6]H)(H)	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1670	0.211	2	108.1670	0.044	2	108.1670	0.044	2	108.1670	0.044	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:2:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	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(C[6]C[6,6]C[6]H)(H)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:2:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	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(C[6]C[6,6]C[6]H)(H)	109.3363	1.528	9	109.3363	2.334	9	109.3363	2.334	9	109.3363	2.334	9	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.2680	1.656	2	108.2680	2.742	2	108.2680	2.742	2	109.9306	4.467	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	109.9306	4.467	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.5320	2.377	2	109.5320	5.652	2	109.9155	2.356	4	109.9306	4.467	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.2990	0.909	2	110.2990	0.827	2	109.9155	2.356	4	109.9306	4.467	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	110.2110	0.000	1	110.2110	0.000	1	109.5757	4.367	3	109.5757	4.367	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	109.2580	2.851	2	109.2580	8.129	2	109.5757	4.367	3	109.5757	4.367	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	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(C[6]C[6,6]C[6]H)(H)	112.8320	0.000	1	112.8320	0.000	1	110.5883	4.502	4	110.5883	4.502	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	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(C[6]C[6,6]C[6]H)(H)	111.9680	0.000	1	111.9680	0.000	1	110.5883	4.502	4	110.5883	4.502	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	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(C[6]C[6,6]C[6]H)(H)	108.7765	0.064	2	108.7765	0.004	2	110.5883	4.502	4	110.5883	4.502	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.6992	1.993	6	108.6992	3.971	6	108.6992	3.971	6	108.6992	3.971	6	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	O(C[6]C[3x6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[3x6]C[6,6]H)(H)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6]C[3,6]C[6,6]H)(H)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	111.6487	2.592	3	111.6487	6.719	3	111.6487	6.719	3	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.5570	0.171	2	108.5570	0.029	2	109.5959	2.565	7	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	107.3520	0.000	1	110.1765	3.932	4	109.5959	2.565	7	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.1180	0.761	3	110.1765	3.932	4	109.5959	2.565	7	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3510	0.000	1	109.3510	0.000	1	109.5959	2.565	7	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.5440	0.000	1	106.5440	0.000	1	108.6482	4.257	5	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.0610	0.000	1	112.0610	0.000	1	108.6482	4.257	5	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.3735	0.474	2	108.3735	0.225	2	108.6482	4.257	5	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.8890	0.000	1	107.8890	0.000	1	108.6482	4.257	5	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	105.5780	0.000	1	105.5780	0.000	1	108.4677	6.971	3	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7540	0.000	1	110.7540	0.000	1	108.4677	6.971	3	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.0710	0.000	1	109.0710	0.000	1	108.4677	6.971	3	109.6643	4.269	21	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.8560	0.238	3	110.8560	0.057	3	111.1188	0.314	4	111.1188	0.314	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	111.9070	0.000	1	111.9070	0.000	1	111.1188	0.314	4	111.1188	0.314	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	104.7650	0.000	1	104.7650	0.000	1	109.2470	16.040	3	109.2240	10.696	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.5010	0.000	1	110.5010	0.000	1	109.2470	16.040	3	109.2240	10.696	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.4750	0.000	1	112.4750	0.000	1	109.2470	16.040	3	109.2240	10.696	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.2240	10.696	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.6463	0.191	3	108.6463	0.036	3	108.7230	0.048	4	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.9530	0.000	1	108.9530	0.000	1	108.7230	0.048	4	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.3540	0.000	1	112.3540	0.000	1	112.7115	0.256	2	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0690	0.000	1	113.0690	0.000	1	112.7115	0.256	2	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.0700	0.000	1	111.0700	0.000	1	111.4920	0.356	2	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.9140	0.000	1	111.9140	0.000	1	111.4920	0.356	2	110.4124	3.582	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.0005	0.363	2	111.0005	0.132	2	111.0005	0.132	2	111.0005	0.132	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.8680	0.000	1	112.1870	0.928	2	110.6555	3.442	4	110.6555	3.442	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.5060	0.000	1	112.1870	0.928	2	110.6555	3.442	4	110.6555	3.442	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1240	0.133	2	109.1240	0.018	2	110.6555	3.442	4	110.6555	3.442	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:2:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	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(C[6]C[6,6]C[6]H)(H)	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.7740	0.000	1	107.7740	0.000	1	108.9225	3.199	4	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.5480	0.000	1	111.5480	0.000	1	108.9225	3.199	4	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.5670	0.000	1	108.5670	0.000	1	108.9225	3.199	4	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.8010	0.000	1	107.8010	0.000	1	108.9225	3.199	4	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:Br-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	113.1090	0.000	1	113.1090	0.000	1	110.0293	12.714	3	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.8560	0.000	1	108.4895	11.201	2	110.0293	12.714	3	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.1230	0.000	1	108.4895	11.201	2	110.0293	12.714	3	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.7930	0.000	1	108.7930	0.000	1	109.1240	5.683	5	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	105.4180	0.000	1	105.4180	0.000	1	109.1240	5.683	5	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4697	1.314	3	110.4697	1.727	3	109.1240	5.683	5	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2270	0.025	2	107.2270	0.001	2	107.2270	0.001	2	109.2683	4.149	19	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-3:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	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(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	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(C[6]C[5,6]C[6,6]H)(H)	112.0250	0.000	1	112.0250	0.000	1	112.0250	0.000	1	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.5540	3.024	2	110.9772	10.885	4	110.9772	10.885	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.4005	0.159	2	110.9772	10.885	4	110.9772	10.885	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.4788	0.199	4	109.4788	0.040	4	109.4788	0.040	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.4680	0.000	1	111.4680	0.000	1	109.5710	2.975	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1890	0.868	2	108.1890	0.754	2	109.5710	2.975	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.4380	0.000	1	110.4380	0.000	1	109.5710	2.975	4	110.1389	3.939	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.0295	3.600	2	110.0295	12.959	2	110.0295	12.959	2	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3140	0.453	2	110.0637	1.406	4	110.1708	1.112	5	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8740	0.000	1	110.0637	1.406	4	110.1708	1.112	5	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.7530	0.000	1	110.0637	1.406	4	110.1708	1.112	5	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.5990	0.000	1	110.5990	0.000	1	110.1708	1.112	5	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.1702	3.352	11	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:3:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	106.2420	0.000	1	106.2420	0.000	1	106.2420	0.000	1	106.2420	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[6,6]2H)(H)	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]2H)(H)	110.5640	0.000	1	110.5640	0.000	1	110.2672	1.526	12	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|H<1>}	O(C[6]C[6,6]2H)(H)	109.2480	0.000	1	109.2480	0.000	1	110.2672	1.526	12	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]2H)(H)	110.5220	0.964	2	110.3395	1.734	10	110.2672	1.526	12	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6,6]2H)(H)	110.2939	1.444	8	110.3395	1.734	10	110.2672	1.526	12	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.1280	0.000	1	110.4075	4.957	4	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.5007	0.515	3	110.4075	4.957	4	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	104.7090	0.000	1	105.9810	3.236	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2530	0.000	1	105.9810	3.236	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.1725	0.080	2	110.1725	0.006	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.5490	0.073	3	112.5490	0.005	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.9360	0.898	2	112.5793	0.785	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8660	0.000	1	112.5793	0.785	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.0320	0.199	2	107.0320	0.040	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6365	1.640	2	110.6743	1.582	6	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1933	0.815	4	110.6743	1.582	6	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.3530	0.000	1	111.3530	0.000	1	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.7370	0.000	1	111.0870	3.795	5	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.7020	0.000	1	111.0870	3.795	5	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.6653	0.417	3	111.0870	3.795	5	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,1|O<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1990	0.000	1	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8320	0.000	1	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,1|O<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.3009	0.935	9	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8537	2.016	3	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.5960	2.466	2	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6190	0.000	1	109.0065	2.163	17	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.7450	0.000	1	111.7450	0.000	1	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.2905	1.278	2	109.6890	1.293	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4860	0.000	1	109.6890	1.293	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.0230	1.352	3	110.0230	1.827	3	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.6160	0.000	1	112.3865	0.105	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1570	0.000	1	112.3865	0.105	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1402	3.612	5	111.1402	13.046	5	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.8550	0.249	2	112.8550	0.062	2	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.0680	0.000	1	113.0680	0.000	1	110.2817	4.842	62	110.2411	4.217	76	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6]2H)(CC[6a]HH)	106.6650	0.703	4	110.1216	13.988	8	110.1216	13.988	8	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]2H)(CC[6a]HH)	113.5782	0.531	4	110.1216	13.988	8	110.1216	13.988	8	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]2H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6,6]2H)(SCOO)	108.0990	0.048	2	108.0990	0.002	2	108.0990	0.002	2	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.1179	2.095	8	110.1179	4.390	8	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6]HH)	109.0850	0.000	1	109.0850	0.000	1	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	112.7790	0.000	1	111.0812	4.531	4	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	108.6380	0.000	1	111.0812	4.531	4	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.9600	0.000	1	111.0812	4.531	4	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	112.9480	0.000	1	111.0812	4.531	4	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	111.9110	0.734	2	111.1824	0.908	9	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	110.9620	1.035	6	111.1824	0.908	9	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	111.0480	0.000	1	111.1824	0.908	9	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|S<2>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.1130	0.000	1	110.1130	0.000	1	110.6569	2.722	23	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:P-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	108.0820	0.000	1	108.0820	0.000	1	108.8630	1.220	2	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:P-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	109.6440	0.000	1	109.6440	0.000	1	108.8630	1.220	2	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	111.9800	0.795	4	111.9800	0.632	4	111.3735	1.333	6	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	110.5810	0.000	1	110.5810	0.000	1	111.3735	1.333	6	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	109.7400	0.000	1	109.7400	0.000	1	111.3735	1.333	6	110.4416	4.701	43	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[3,6]C[6,6]H)(H)	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.5247	0.416	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6]2H)(H)	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.5247	0.416	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.5247	0.416	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	110.5247	0.416	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	O(C[6]C[3,6,6]C[6,6]H)(H)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6,6]C[6,6]H)(H)	111.1200	0.000	1	111.1200	0.000	1	111.1200	0.000	1	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[3,6]C[6,6]H)(H)	107.6100	0.557	3	107.6100	0.310	3	107.6100	0.310	3	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6]C[3,6]C[6,6]H)(H)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6]2H)(H)	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]2H)(H)	112.3290	0.106	2	112.3290	0.011	2	112.3290	0.011	2	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0920	3.437	2	113.0920	11.810	2	113.0920	11.810	2	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	115.2410	0.000	1	112.7155	12.756	2	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.1900	0.000	1	112.7155	12.756	2	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.0650	0.000	1	104.0650	0.000	1	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6560	0.062	2	109.6560	0.004	2	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2844	0.163	5	107.2844	0.027	5	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4880	0.000	1	110.4880	0.000	1	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1790	0.000	1	112.1790	0.000	1	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.8910	0.000	2	112.8910	0.000	2	109.5485	9.138	14	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.6460	0.000	1	112.6460	0.000	1	111.2117	2.941	3	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6770	0.000	1	111.6770	0.000	1	111.2117	2.941	3	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3120	0.000	1	109.3120	0.000	1	111.2117	2.941	3	110.0422	7.470	28	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	110.2945	2.703	2	110.2945	7.308	2	110.2945	7.308	2	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	105.2420	0.000	1	105.2420	0.000	1	106.4112	0.793	4	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CHHO)	107.0200	0.000	1	107.0200	0.000	1	106.4112	0.793	4	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CHHO)	106.1990	0.000	1	106.1990	0.000	1	106.4112	0.793	4	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	107.1840	0.000	1	107.1840	0.000	1	106.4112	0.793	4	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	107.8889	5.201	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[3,6]C[6,6]H)(H)	113.5200	0.000	1	113.5200	0.000	1	113.5200	0.000	1	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]2H)(H)	105.5940	0.000	1	105.5940	0.000	1	105.5940	0.000	1	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.5700	0.000	1	112.5700	0.000	1	112.5700	0.000	1	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]N)(CN){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(O[6]C[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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(C[6]C[6,6]C[6]H)(H)	113.0320	1.219	2	113.0320	1.486	2	113.0320	1.486	2	111.3583	7.822	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[6]C[6]S){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO){1|S<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4395	0.380	2	111.4395	0.144	2	111.3410	0.101	3	112.1366	3.798	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1440	0.000	1	111.1440	0.000	1	111.3410	0.101	3	112.1366	3.798	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.0670	0.000	1	111.0670	0.000	1	113.3300	10.242	2	112.1366	3.798	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	115.5930	0.000	1	115.5930	0.000	1	113.3300	10.242	2	112.1366	3.798	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	106.8985	0.572	2	106.8985	0.327	2	106.8985	0.327	2	108.0043	3.832	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:3:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	108.0043	3.832	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	115.3610	0.000	1	116.1795	1.340	2	116.1795	1.340	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	116.9980	0.000	1	116.1795	1.340	2	116.1795	1.340	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	O(C[6]C[6,6]2H)(H)	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]2H)(H)	113.4410	0.000	1	113.4410	0.000	1	111.0260	4.496	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H)	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]HN)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6,6]2H)(H)	109.8185	0.493	2	109.8185	0.243	2	111.0260	4.496	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6010	0.000	1	110.6010	0.000	1	111.0767	5.889	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.7060	0.000	1	113.7060	0.000	1	111.0767	5.889	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.9230	0.000	1	108.9230	0.000	1	111.0767	5.889	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.0370	0.000	1	110.0370	0.000	1	110.2635	0.103	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4900	0.000	1	110.4900	0.000	1	110.2635	0.103	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,3|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.8340	1.086	2	108.9888	0.398	5	108.9888	0.398	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.6220	0.000	1	108.9888	0.398	5	108.9888	0.398	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|C<3>,2|O<1>,3|C<4>,3|O<2>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3270	0.025	2	108.9888	0.398	5	108.9888	0.398	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){10|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.1355	0.374	2	110.8808	4.682	4	110.4770	8.957	6	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.6260	1.312	2	110.8808	4.682	4	110.4770	8.957	6	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	105.8760	0.000	1	109.6695	28.781	2	110.4770	8.957	6	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.4630	0.000	1	109.6695	28.781	2	110.4770	8.957	6	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3930	0.000	1	109.3930	0.000	1	111.4637	1.573	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1940	0.764	2	111.1940	0.583	2	111.4637	1.573	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4840	0.000	1	111.3050	0.064	2	111.4637	1.573	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1260	0.000	1	111.3050	0.064	2	111.4637	1.573	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.9275	0.152	2	112.9275	0.023	2	111.4637	1.573	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.5250	0.000	1	109.4514	4.124	94	109.4944	4.163	96	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6555	2.425	2	109.4514	4.124	94	109.4944	4.163	96	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.4681	2.038	91	109.4514	4.124	94	109.4944	4.163	96	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.1620	0.000	1	110.1620	0.000	1	109.4944	4.163	96	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.8700	0.000	1	112.8700	0.000	1	109.4944	4.163	96	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.2037	0.154	3	109.2037	0.024	3	109.2037	0.024	3	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1090	0.000	1	107.5485	0.386	2	107.5485	0.386	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.9880	0.000	1	107.5485	0.386	2	107.5485	0.386	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){5|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.2730	0.000	1	108.6596	2.765	7	108.6596	2.765	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.2240	1.313	6	108.6596	2.765	7	108.6596	2.765	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.4323	0.877	7	108.4323	0.770	7	108.4323	0.770	7	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.6650	0.000	1	107.6650	0.000	1	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8270	1.997	3	111.9480	2.718	4	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.3110	0.000	1	111.9480	2.718	4	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	114.7810	0.075	2	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.9035	1.590	6	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6370	0.000	1	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.5220	0.000	1	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.9027	0.916	7	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.8500	0.000	1	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6690	0.000	1	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1200	0.000	1	110.5550	3.760	20	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.7430	1.338	2	112.7107	4.092	3	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6460	0.000	1	112.7107	4.092	3	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.7690	0.000	1	106.7690	0.000	1	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	115.6680	0.000	1	115.6680	0.000	1	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|N<2>,2|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.2890	0.000	1	109.2890	0.000	1	110.8521	5.239	31	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8225	0.646	2	109.8225	0.417	2	109.8225	0.417	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.8315	2.023	2	108.8315	4.093	2	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.2800	0.000	1	112.3430	0.008	2	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.4060	0.000	1	112.3430	0.008	2	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.2700	0.000	1	113.2700	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.0420	0.000	1	111.3064	8.153	7	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.5510	0.000	1	111.3064	8.153	7	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.7104	1.823	5	111.3064	8.153	7	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.3280	0.000	1	111.5725	0.635	4	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6540	0.955	3	111.5725	0.635	4	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	114.0417	1.040	3	113.2373	3.310	4	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.8240	0.000	1	113.2373	3.310	4	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6040	0.000	1	109.6040	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2850	0.000	1	107.7120	0.291	3	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.9255	0.555	2	107.7120	0.291	3	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.7850	0.000	1	108.7850	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2200	0.000	1	107.2200	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.9420	1.448	2	111.9420	2.097	2	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8030	0.710	2	111.8030	0.504	2	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	115.1250	0.000	1	115.1250	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6223	2.962	3	111.6223	8.772	3	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4150	0.000	1	111.4150	0.000	1	111.1899	5.867	35	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.4405	0.453	2	112.4405	0.205	2	112.4405	0.205	2	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.3380	0.000	1	108.3380	0.000	1	110.1988	3.795	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0770	0.000	1	113.0770	0.000	1	110.1988	3.795	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.4270	0.000	1	109.8597	1.544	3	110.1988	3.795	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.5760	0.100	2	109.8597	1.544	3	110.1988	3.795	5	110.1060	5.172	222	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:S-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(SOO)	104.5440	0.086	2	104.5440	0.007	2	104.5440	0.007	2	104.5440	0.007	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	O(C[6]C[3,6,6]C[6,6]H)(CH3)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[3,6,6]C[6,6]H)(CH3)	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	114.4563	0.646	61	114.4401	0.452	63	114.4401	0.452	63	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){3|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	112.8300	0.000	1	114.4401	0.452	63	114.4401	0.452	63	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|N<2>,3|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	115.0630	0.000	1	114.4401	0.452	63	114.4401	0.452	63	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	105.6290	0.000	1	105.6290	0.000	1	105.6290	0.000	1	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CHHO)	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	106.9840	0.013	2	106.9840	0.000	2	106.9840	0.000	2	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HO)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	107.7130	0.000	1	107.7130	0.000	1	106.9253	0.794	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|N<2>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	107.1050	0.000	1	107.1050	0.000	1	106.9253	0.794	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	105.9580	0.000	1	105.9580	0.000	1	106.9253	0.794	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	108.7440	0.000	1	108.7440	0.000	1	107.3823	1.422	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	106.8790	0.000	1	106.8790	0.000	1	107.3823	1.422	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	106.5240	0.000	1	106.5240	0.000	1	107.3823	1.422	3	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.2130	0.570	2	110.2130	0.325	2	110.2130	0.325	2	113.2037	7.738	77	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1710	0.000	1	112.1710	0.000	1	112.1710	0.000	1	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.2275	0.569	2	107.2275	0.324	2	107.2275	0.324	2	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.5965	0.021	2	112.4693	0.049	3	112.4235	0.041	4	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.2150	0.000	1	112.4693	0.049	3	112.4235	0.041	4	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.2860	0.000	1	112.2860	0.000	1	112.4235	0.041	4	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.9830	0.000	1	110.9830	0.000	1	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.5450	2.449	4	112.5450	6.000	4	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	111.4370	0.000	1	111.4370	0.000	1	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1305	1.016	2	109.1305	1.032	2	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.0730	0.000	1	112.2295	2.675	2	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.3860	0.000	1	112.2295	2.675	2	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4950	0.000	1	111.4950	0.000	1	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	105.7740	0.000	1	105.7740	0.000	1	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.2460	2.300	10	110.2460	5.289	10	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.7650	0.129	2	111.7650	0.017	2	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.6780	0.000	1	107.6780	0.000	1	110.6503	5.478	25	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1170	0.000	1	106.9803	0.176	3	106.9803	0.176	3	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.9120	0.569	2	106.9803	0.176	3	106.9803	0.176	3	110.4261	6.016	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:N-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6,6]C[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(NOO)	111.6220	0.501	2	111.6220	0.251	2	111.6220	0.251	2	111.6220	0.251	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6])	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[5,6]HO)(C[6]C[6]HH)(O[6]C[6]){1|Si<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8710	0.000	1	109.8710	0.000	1	108.7830	2.367	2	110.3293	4.197	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.6950	0.000	1	107.6950	0.000	1	108.7830	2.367	2	110.3293	4.197	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6]C[6]HH)(C[6]C[6]HO)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.4500	0.000	1	112.4500	0.000	1	111.8755	0.660	2	110.3293	4.197	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]C[6]HO)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.3010	0.000	1	111.3010	0.000	1	111.8755	0.660	2	110.3293	4.197	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	114.4050	0.952	5	114.4050	0.906	5	114.4050	0.906	5	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.4370	0.000	1	108.0438	0.666	4	108.0438	0.666	4	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.2460	0.868	3	108.0438	0.666	4	108.0438	0.666	4	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.0150	1.450	5	111.9747	1.691	6	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.7730	0.000	1	111.9747	1.691	6	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.7160	0.000	1	108.7160	0.000	1	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.3430	0.000	1	112.1910	0.038	3	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1150	0.205	2	112.1910	0.038	3	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5370	0.000	1	110.5370	0.000	1	111.6067	1.987	11	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8660	0.000	1	111.5475	14.381	2	111.8347	7.438	3	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	114.2290	0.000	1	111.5475	14.381	2	111.8347	7.438	3	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.4090	0.000	1	112.4090	0.000	1	111.8347	7.438	3	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.4380	0.000	1	113.4380	0.000	1	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.9720	0.000	1	111.0270	5.124	4	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.4250	0.000	1	111.0270	5.124	4	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.5450	0.000	1	111.0270	5.124	4	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.1660	0.000	1	111.0270	5.124	4	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8280	0.000	1	111.8280	0.000	1	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.3270	0.000	1	113.3270	0.000	1	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.7780	0.000	1	108.7780	0.000	1	111.4349	4.406	8	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1910	0.000	1	112.1910	0.000	1	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.1870	0.000	1	110.1870	0.000	1	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.1750	0.000	1	113.1750	0.000	1	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1335	1.933	2	108.9233	2.000	3	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.5030	0.000	1	108.9233	2.000	3	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7772	1.677	5	110.4365	2.947	6	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.7330	0.000	1	110.4365	2.947	6	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.9290	0.000	1	109.9290	0.000	1	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.2170	0.000	1	111.2170	0.000	1	110.4349	2.855	14	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]C[6]HO){1|O<2>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	111.0542	4.792	51	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:Si-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	107.4430	0.000	1	107.4430	0.000	1	107.8798	0.998	4	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	107.4870	1.000	2	107.4870	1.000	2	107.8798	0.998	4	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]H)(CCCH)	109.1020	0.000	1	109.1020	0.000	1	107.8798	0.998	4	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	107.7360	0.817	2	107.7360	0.668	2	107.7360	0.668	2	107.8355	0.615	8	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:2:2:	4:4:3:2:	4:4:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)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(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|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]){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]O)(CH3)	104.6845	0.986	2	104.6845	0.973	2	104.6845	0.973	2	104.6845	0.973	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:3:2:	3:4:3:2:	4:1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6]C[6,6]C[6a]C[6])(H)	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:3:2:	3:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.7330	5.360	2	106.7330	28.728	2	106.7330	28.728	2	106.7330	28.728	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.5900	0.000	1	107.5900	0.000	1	108.5660	1.905	2	108.5660	1.905	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.5420	0.000	1	109.5420	0.000	1	108.5660	1.905	2	108.5660	1.905	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:3:2:	4:4:4:3:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)2(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.8510	0.000	1	107.3675	4.402	2	107.3675	4.402	2	107.3675	4.402	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	3:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	105.8840	0.000	1	107.3675	4.402	2	107.3675	4.402	2	107.3675	4.402	2	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6,6]C)(H)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.1248	3.547	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	O(C[6]C[6,6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	O(C[6]C[6,6]2C)(H)	108.7510	2.010	3	108.7510	4.041	3	108.7510	4.041	3	108.1248	3.547	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]C)(H)	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	108.1248	3.547	5	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO){2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]C)(H)	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]C)(H)	106.1200	0.000	1	106.1200	0.000	1	108.1390	4.490	5	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]C)(H)	110.4265	0.302	2	109.2953	3.884	3	108.1390	4.490	5	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.0330	0.000	1	109.2953	3.884	3	108.1390	4.490	5	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.6890	0.000	1	106.6890	0.000	1	108.1390	4.490	5	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	O(C[6]C[6,6]C[6]C)(H)	105.6020	0.000	1	105.6020	0.000	1	104.8795	1.044	2	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	O(C[6]C[6,6]C[6]C)(H)	104.1570	0.000	1	104.1570	0.000	1	104.8795	1.044	2	107.2077	5.697	7	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:2:3:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	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(C[6]C[6,6]C[6]C)(H)	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]C)(H)	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	105.8440	5.375	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.2550	0.000	1	108.2550	0.000	1	105.9430	10.691	2	105.8440	5.375	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	103.6310	0.000	1	103.6310	0.000	1	105.9430	10.691	2	105.8440	5.375	3	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6,6]C)(H)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]2C)(H)	107.6747	2.183	3	107.6747	4.765	3	107.6747	4.765	3	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.6595	2.765	2	108.6595	7.648	2	108.6595	7.648	2	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]C)(H)	106.0155	0.187	2	106.0155	0.035	2	106.0155	0.035	2	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.2840	0.000	1	109.2840	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.3420	0.000	1	110.3420	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	111.6150	0.000	1	107.4880	7.829	5	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.4562	1.828	4	107.4880	7.829	5	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	103.7230	0.000	1	103.7230	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.1560	0.000	1	108.1054	1.481	10	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.6185	0.158	2	108.1054	1.481	10	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.7390	0.000	1	108.1054	1.481	10	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.2750	1.280	2	108.1054	1.481	10	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.5930	1.712	4	108.1054	1.481	10	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.1540	0.000	1	109.1540	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.9710	0.000	1	109.9710	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.1370	0.000	1	106.1370	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.2240	0.000	1	108.2240	0.000	1	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.1260	0.000	1	107.8665	0.135	2	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.6070	0.000	1	107.8665	0.135	2	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.8105	2.054	2	108.6670	15.894	3	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	104.3800	0.000	1	108.6670	15.894	3	108.0394	4.365	27	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	104.4340	0.000	1	104.4340	0.000	1	104.4340	0.000	1	107.8759	4.421	36	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6,6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(CH3)	101.3200	0.000	1	101.3200	0.000	1	101.3200	0.000	1	101.3200	0.000	1	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.3533	0.390	3	107.3533	0.152	3	107.1960	0.201	4	107.1960	0.201	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.7240	0.000	1	106.7240	0.000	1	107.1960	0.201	4	107.1960	0.201	4	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[3,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[3,6]C[6,6]C)(H)	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6,6]C)(H)	105.1855	0.156	2	105.1855	0.024	2	105.1855	0.024	2	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]C)(H)	107.2960	3.441	2	106.2337	3.999	7	107.2553	4.886	11	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]C)(H)	104.9245	0.293	2	106.2337	3.999	7	107.2553	4.886	11	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.3983	1.775	3	106.2337	3.999	7	107.2553	4.886	11	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.2110	0.000	1	110.2110	0.000	1	107.2553	4.886	11	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.6537	1.216	3	108.6537	1.480	3	107.2553	4.886	11	107.0871	4.634	14	110.1766	6.981	925	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	3:4:1:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	3:4:4:2:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	106.6970	0.000	1	106.6970	0.000	1	106.5977	0.075	3	106.5977	0.075	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	3:4:4:2:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	106.5480	0.368	2	106.5480	0.135	2	106.5977	0.075	3	106.5977	0.075	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	O(C[6]C[6]O[6]H)(H)	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	109.5830	6.509	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:1:	S[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	O(C[6]C[6]S[6]H)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	O(C[6]C[6]S[6]H)(H)	108.1150	0.297	2	108.1150	0.088	2	108.1150	0.088	2	109.5830	6.509	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	107.6550	0.000	1	107.6550	0.000	1	109.2730	1.805	5	109.2730	1.805	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	110.7790	0.000	1	110.7790	0.000	1	109.2730	1.805	5	109.2730	1.805	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	108.0710	0.000	1	108.0710	0.000	1	109.2730	1.805	5	109.2730	1.805	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.9300	0.160	2	109.9300	0.026	2	109.2730	1.805	5	109.2730	1.805	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:1:	4:4:4:1:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	117.3480	0.578	2	117.3480	0.335	2	117.3480	0.335	2	117.3480	0.335	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:2:2:	4:4:3:2:	4:4:	O[6]-2:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:N-3:C-2:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN)	O(C[6]C[6]O[6]O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]OO)(NHH)(CN){4|C<3>}	O(C[6]C[6]O[6]O)(CH3)	107.3480	2.555	2	107.3480	6.530	2	107.3480	6.530	2	107.3480	6.530	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:3:2:	2:4:4:4:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	O(C[6]C[6]O[6]C)(H)	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:3:2:	4:2:1:1:	4:4:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2	O(C[6]C[5]C[6]O[6])(CH3)	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>}	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	O(C[6]C[5]C[6]O[6])(CH3)	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:3:2:	4:4:1:1:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{1|O<2>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.1540	0.000	1	110.2420	4.028	7	110.2420	4.028	7	110.2420	4.028	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:3:2:	4:4:1:1:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(H)	110.5900	1.954	6	110.2420	4.028	7	110.2420	4.028	7	110.2420	4.028	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	3:4:1:1:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2{2|C<3>}	O(C[6]C[6]O[6]C)(H)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(H)	107.9175	0.180	2	107.9175	0.033	2	107.9175	0.033	2	107.9175	0.033	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	O(C[6]C[6]O[6]C)(CH3)	106.1700	0.624	3	106.1700	0.390	3	106.1700	0.390	3	107.1610	2.187	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(SiC3)	109.1960	0.000	1	109.1960	0.000	1	108.6475	0.602	2	107.1610	2.187	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	4:4:1:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(SiC3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	O(C[6]C[6]O[6]C)(SiC3)	108.0990	0.000	1	108.0990	0.000	1	108.6475	0.602	2	107.1610	2.187	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	2:4:4:2:	4:4:4:1:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	O(C[6]C[6]O[6]C)(CCHH)	115.1730	0.000	1	115.1730	0.000	1	115.1730	0.000	1	115.1730	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:3:4:1:	4:1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H){4|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:1:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2	O(C[6]C[6]2O[6])(H)	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>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	O(C[6]C[6]2O[6])(H)	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	106.5960	0.000	1	106.5960	0.000	1	106.7743	0.556	3	107.6324	1.773	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	106.8635	1.032	2	106.8635	1.064	2	106.7743	0.556	3	107.6324	1.773	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	O(C[6]C[6a]C[6]O[6])(SiC3)	108.4410	0.000	1	108.4410	0.000	1	108.9195	0.458	2	107.6324	1.773	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:2:4:2:	4:4:1:1:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	O(C[6]C[6a]C[6]O[6])(SiC3)	109.3980	0.000	1	109.3980	0.000	1	108.9195	0.458	2	107.6324	1.773	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	3:3:4:2:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	O(C[6]C[6,6a]2C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	O(C[6]C[6,6a]2C[6])(H)	104.6340	3.142	2	104.6340	9.875	2	104.6340	9.875	2	104.6340	9.875	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:2:1:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:2:2:1:	4:4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(CH3)	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:2:4:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	104.4300	0.689	2	104.4300	0.474	2	106.0080	7.707	3	106.0080	7.707	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:2:4:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	109.1640	0.000	1	109.1640	0.000	1	106.0080	7.707	3	106.0080	7.707	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:1:1:	4:1:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	108.9953	0.764	3	108.9953	0.584	3	108.9953	0.584	3	107.3902	4.701	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.3902	4.701	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{5|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.4340	0.000	1	106.4340	0.000	1	105.0635	3.757	2	107.3902	4.701	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	103.6930	0.000	1	103.6930	0.000	1	105.0635	3.757	2	107.3902	4.701	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:3:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.1160	0.000	1	110.1160	0.000	1	110.1160	0.000	1	110.1160	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:3:4:1:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:2:1:	4:1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	O(C[6]C[5a,6]C[6a]C[6])(H)	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CCO)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.7540	0.000	1	106.7540	0.000	1	107.7020	1.814	4	109.2468	6.853	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]O)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	107.9625	2.056	2	107.9625	4.225	2	107.7020	1.814	4	109.2468	6.853	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(COO)(H){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	108.1290	0.000	1	108.1290	0.000	1	107.7020	1.814	4	109.2468	6.853	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H)	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]O)(C[6]C[6a]C[6]H)(CNS)(H){1|C<4>,6|C<3>}	O(C[6]N[5,6]C[6a]C[6])(H)	112.3365	0.429	2	112.3365	0.184	2	112.3365	0.184	2	109.2468	6.853	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:1:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	O(C[6]C[6,6a]2C[6])(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]2C[6])(SiC3)	104.7380	0.000	1	104.7380	0.000	1	104.7380	0.000	1	104.7380	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:3:4:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:4:1:	4:1:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6,6]C[6a]C[6])(H)	108.6230	0.225	2	108.6230	0.051	2	108.6230	0.051	2	108.6230	0.051	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:4:3:	4:1:	C[5a]-3:C[6]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[5a]C[6]2)(H)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	108.3810	0.366	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:3:4:2:	4:4:4:3:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	108.3810	0.366	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	2:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{3|C<3>}	O(C[6]C[6]2H)(H)	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:3:4:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	O(C[6]C[6]2H)(H)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	108.8425	22.883	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	108.8425	22.883	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:1:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6]2H)(CH3)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.0230	0.701	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	O(C[6]N[5,6]C[6]H)(CH3)	106.5765	0.455	2	106.5765	0.207	2	106.5765	0.207	2	107.0230	0.701	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.4950	0.321	2	111.4950	0.103	2	112.0312	0.514	4	112.0312	0.514	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.5675	0.538	2	112.5675	0.290	2	112.0312	0.514	4	112.0312	0.514	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	110.8885	4.287	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	110.8885	4.287	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	110.8885	4.287	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.8885	4.287	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.9560	0.000	1	111.9560	0.000	1	110.2977	8.122	3	110.2977	8.122	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.4685	3.481	2	109.4685	12.118	2	110.2977	8.122	3	110.2977	8.122	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.4210	0.000	1	112.4210	0.000	1	112.2865	0.036	2	112.2865	0.036	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	3:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.1520	0.000	1	112.1520	0.000	1	112.2865	0.036	2	112.2865	0.036	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:1:1:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	O(C[6]N[5,6]C[6]H)(H)	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.0370	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:1:1:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:3:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.3800	0.000	1	107.3800	0.000	1	108.6122	2.087	11	108.6122	2.087	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.0717	2.112	3	109.8815	3.119	4	108.6122	2.087	11	108.6122	2.087	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.3110	0.000	1	109.8815	3.119	4	108.6122	2.087	11	108.6122	2.087	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.9713	0.467	6	107.9713	0.218	6	108.6122	2.087	11	108.6122	2.087	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:2:4:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	106.8400	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.1560	0.000	1	112.4080	0.127	2	110.8189	8.235	8	110.8189	8.235	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.6600	0.000	1	112.4080	0.127	2	110.8189	8.235	8	110.8189	8.235	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.2470	0.000	1	108.2470	0.000	1	110.8189	8.235	8	110.8189	8.235	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2{2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	114.6720	0.000	1	114.6720	0.000	1	110.8189	8.235	8	110.8189	8.235	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.7040	2.946	4	109.7040	8.679	4	110.8189	8.235	8	110.8189	8.235	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	105.2725	3.456	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	103.9580	0.000	1	103.9580	0.000	1	103.9580	0.000	1	105.2725	3.456	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.9350	0.000	1	111.9350	0.000	1	111.5124	0.382	5	111.3603	0.842	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.6867	0.426	3	111.6867	0.182	3	111.5124	0.382	5	111.3603	0.842	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.5670	0.000	1	110.5670	0.000	1	111.5124	0.382	5	111.3603	0.842	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.9800	1.766	2	110.9800	3.120	2	110.9800	3.120	2	111.3603	0.842	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	106.5250	7.069	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:2:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6,6a]C[6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(SiC3)	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	106.5250	7.069	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.7272	0.561	4	110.7272	0.315	4	110.7272	0.315	4	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.9680	0.000	1	109.5515	5.015	2	109.5515	5.015	2	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.1350	0.000	1	109.5515	5.015	2	109.5515	5.015	2	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.0555	0.302	2	111.2528	5.096	4	109.6520	9.436	6	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.4500	3.553	2	111.2528	5.096	4	109.6520	9.436	6	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	106.4505	1.070	2	106.4505	1.145	2	109.6520	9.436	6	109.9937	5.126	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.1523	0.562	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.1523	0.562	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:3:1:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.1523	0.562	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.3960	0.000	1	111.3960	0.000	1	112.4040	2.032	2	111.9005	4.295	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.4120	0.000	1	113.4120	0.000	1	112.4040	2.032	2	111.9005	4.295	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.1790	0.000	1	109.1790	0.000	1	111.3970	9.839	2	111.9005	4.295	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.6150	0.000	1	113.6150	0.000	1	111.3970	9.839	2	111.9005	4.295	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	109.4060	24.360	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCHH)	105.9160	0.000	1	105.9160	0.000	1	105.9160	0.000	1	109.4060	24.360	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:2:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	113.3537	0.607	4	113.2522	0.328	5	113.2522	0.328	5	113.2522	0.328	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:2:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	112.8460	0.000	1	113.2522	0.328	5	113.2522	0.328	5	113.2522	0.328	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:3:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.7490	0.417	2	110.7490	0.174	2	110.7490	0.174	2	110.4943	0.282	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:3:4:3:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	110.4943	0.282	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.8480	0.000	1	109.8480	0.000	1	109.8004	3.386	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	109.7885	2.125	4	109.7885	4.514	4	109.8004	3.386	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	105.3950	0.000	1	105.3950	0.000	1	110.3542	13.881	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	113.6710	0.000	1	113.6710	0.000	1	110.3542	13.881	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	112.1480	0.000	1	112.1480	0.000	1	110.3542	13.881	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	107.3890	0.000	1	110.2785	16.698	2	110.3542	13.881	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	113.1680	0.000	1	110.2785	16.698	2	110.3542	13.881	5	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.7190	0.000	1	108.7190	0.000	1	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2550	0.000	1	109.7730	0.465	2	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.2910	0.000	1	109.7730	0.465	2	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.7940	0.000	1	107.7940	0.000	1	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.4160	0.000	1	110.4160	0.000	1	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.1185	1.710	2	109.7408	8.550	4	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.3630	0.332	2	109.7408	8.550	4	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.0830	0.000	1	110.7695	1.881	6	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.2590	0.000	1	110.7695	1.881	6	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.0687	0.583	4	110.7695	1.881	6	110.0037	3.295	15	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6435	0.190	2	109.6435	0.036	2	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.1560	0.000	1	112.1560	0.000	1	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.6930	0.000	1	110.6930	0.000	1	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6870	1.621	4	109.5271	2.499	8	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.9140	0.554	2	109.5271	2.499	8	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.3930	0.000	1	109.5271	2.499	8	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.2480	0.000	1	109.5271	2.499	8	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.9160	0.000	1	110.9160	0.000	1	109.9438	2.125	13	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.8210	0.000	1	111.8210	0.000	1	109.8109	8.748	9	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.8620	6.361	2	108.8620	40.464	2	109.8109	8.748	9	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.3615	0.719	2	110.3615	0.517	2	109.8109	8.748	9	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.7890	2.828	3	108.7890	7.996	3	109.8109	8.748	9	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.6630	0.000	1	111.6630	0.000	1	109.8109	8.748	9	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	112.1530	0.000	1	112.1530	0.000	1	112.4220	0.208	3	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.5565	0.554	2	112.5565	0.307	2	112.4220	0.208	3	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.5060	3.842	2	108.5060	14.764	2	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	104.0990	0.765	2	104.0990	0.585	2	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.1960	0.000	1	110.2566	3.719	9	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.6100	0.000	1	110.2566	3.719	9	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.5004	1.738	7	110.2566	3.719	9	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.1830	0.000	1	108.1830	0.000	1	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.4890	0.000	1	112.4890	0.000	1	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.5500	0.000	1	107.5500	0.000	1	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.5468	0.517	4	109.5468	0.268	4	109.1964	6.527	20	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.0855	1.098	2	111.0855	1.206	2	111.0855	1.206	2	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5670	0.574	2	110.5670	0.330	2	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	O(C[6]C[6]2H)(H)	111.1980	0.000	1	111.1980	0.000	1	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	107.1980	0.000	1	107.1980	0.000	1	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	109.0630	0.000	1	108.1612	1.977	6	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	110.2690	0.000	1	108.1612	1.977	6	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	108.6960	0.000	1	108.1612	1.977	6	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.9797	0.277	3	108.1612	1.977	6	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	108.9498	1.882	5	108.9498	3.542	5	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.8060	0.000	1	111.8060	0.000	1	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	112.3010	0.000	1	112.2824	0.797	5	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	112.7550	0.477	3	112.2824	0.797	5	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8460	0.000	1	112.2824	0.797	5	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.4200	0.284	2	110.4200	0.081	2	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6]2H)(H)	108.1340	0.106	2	108.1340	0.011	2	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	O(C[6]C[6]2H)(H)	107.1930	0.000	1	107.1930	0.000	1	109.6448	4.185	26	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]N[5,6]C[6]H)(H)	109.8620	0.000	1	109.8620	0.000	1	110.2272	3.151	6	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[5,6]C[6]H)(H)	109.8950	0.000	1	109.8950	0.000	1	110.2272	3.151	6	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	O(C[6]N[5,6]C[6]H)(H)	110.4015	2.265	4	110.4015	5.130	4	110.2272	3.151	6	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]N[5a,6]C[6]H)(H)	113.5970	0.000	1	111.8985	3.724	4	111.4844	3.499	7	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]N[5a,6]C[6]H)(H)	111.3323	1.914	3	111.8985	3.724	4	111.4844	3.499	7	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[5a,6]C[6]H)(H)	110.9323	2.027	3	110.9323	4.110	3	111.4844	3.499	7	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	O(C[6]N[5a,6]C[6]H)(H)	108.2120	0.683	2	108.2120	0.467	2	108.2120	0.467	2	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]H)(H)	108.3860	0.020	2	108.3860	0.000	2	108.3860	0.000	2	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	O(C[6]C[6]N[6]H)(H)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	109.9450	4.744	118	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	O(C[6]C[5a,6]C[6]H)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	O(C[6]C[5a,6]C[6]H)(OH)	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	106.1027	24.330	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:2:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(OC[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(OC[6])	103.2560	0.195	2	103.2560	0.038	2	103.2560	0.038	2	106.1027	24.330	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.7050	0.000	1	110.7050	0.000	1	110.7050	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	111.0720	0.000	1	111.0720	0.000	1	111.4080	0.226	2	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CH3)	111.7440	0.000	1	111.7440	0.000	1	111.4080	0.226	2	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(CCHH)	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	111.1300	0.000	1	111.1300	0.000	1	106.4718	5.226	6	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	105.5410	0.173	4	105.5410	0.030	4	106.4718	5.226	6	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	105.5370	0.000	1	105.5370	0.000	1	106.4718	5.226	6	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	111.8055	1.636	2	111.8055	2.675	2	111.3207	2.043	3	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	110.3510	0.000	1	110.3510	0.000	1	111.3207	2.043	3	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	111.4585	0.357	2	111.4585	0.128	2	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	113.1180	0.000	1	113.1180	0.000	1	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCHH)	112.6050	0.000	1	112.6050	0.000	1	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(CCHH)	112.0800	0.000	1	112.0800	0.000	1	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	113.1840	0.000	1	113.1840	0.000	1	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	112.9790	0.402	2	112.9790	0.161	2	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	112.2560	0.059	2	112.2560	0.004	2	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(CH3)	112.7140	0.000	1	112.7140	0.000	1	112.4625	0.411	11	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	112.1280	0.720	2	112.1280	0.518	2	112.1280	0.518	2	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CH3)	111.2050	0.000	1	111.2050	0.000	1	111.9213	0.394	3	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	112.2795	0.135	2	112.2795	0.018	2	111.9213	0.394	3	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	107.7970	0.000	1	107.7970	0.000	1	106.5374	0.497	5	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	106.2225	0.038	4	106.2225	0.001	4	106.5374	0.497	5	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]N[5,6]C[6]H)(CH3)	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]N[5,6]C[6]H)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[5,6]C[6]H)(CCHH)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	O(C[6]N[5a,6]C[6]H)(CCHH)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]N[5a,6]C[6]H)(CCHH)	112.7645	0.189	2	112.7645	0.036	2	112.7645	0.036	2	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]N[6,6]C[6]H)(CH3)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]N[6,6]C[6]H)(CH3)	107.6080	0.350	3	107.6080	0.122	3	107.6080	0.122	3	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	O(C[6]N[6,6a]C[6]H)(CCCH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	O(C[6]N[6,6a]C[6]H)(CCCH)	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:1:1:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]HO)(H)2{3|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	105.5750	0.000	1	105.5750	0.000	1	105.5750	0.000	1	110.2384	8.809	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	110.9910	1.677	2	110.9910	2.813	2	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	107.2570	0.000	1	107.2570	0.000	1	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	108.9610	0.000	1	108.9610	0.000	1	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[5a,6]C[6]H)(H)	111.5853	1.146	4	111.5853	1.314	4	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[5a,6]C[6]H)(H)	113.6230	0.000	1	113.6230	0.000	1	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5a,6]C[6]H)(H)	110.7830	0.785	2	110.7830	0.616	2	110.8845	3.374	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4650	0.000	1	110.4650	0.000	1	111.0780	0.304	4	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7590	0.000	1	110.7590	0.000	1	111.0780	0.304	4	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.5440	0.000	2	111.5440	0.000	2	111.0780	0.304	4	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.1510	0.000	1	112.1510	0.000	1	110.1385	8.100	2	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.1260	0.000	1	108.1260	0.000	1	110.1385	8.100	2	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.5725	1.162	2	110.5725	1.350	2	110.5725	1.350	2	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]HO)(SC[6a])(H){6|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.8410	1.116	2	110.8410	1.245	2	110.8410	1.245	2	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1400	0.000	1	110.1400	0.000	1	110.3620	4.107	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0045	1.203	2	110.0045	1.447	2	110.3620	4.107	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7620	2.315	6	109.7620	5.361	6	110.3620	4.107	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	112.4530	0.000	1	112.4530	0.000	1	110.3620	4.107	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]2H)(H)	112.8080	0.000	1	112.8080	0.000	1	110.3620	4.107	11	110.6745	2.907	35	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	109.9427	3.165	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	109.5192	1.669	4	109.5192	2.785	4	109.2284	2.512	5	109.9427	3.165	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.0650	0.000	1	108.0650	0.000	1	109.2284	2.512	5	109.9427	3.165	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:2:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	109.9427	3.165	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HO)(COO)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	111.6060	0.000	1	111.6060	0.000	1	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	105.5215	0.265	2	105.5215	0.070	2	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.7177	0.965	3	110.7177	0.931	3	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[6a]O)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	108.3710	0.000	1	108.3710	0.000	1	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.1920	0.000	1	112.1920	0.000	1	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(CN[5]O)(H){4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.8155	0.388	2	109.8155	0.151	2	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.7590	0.000	1	107.7590	0.000	1	109.3414	5.410	11	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:Br-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.3245	2.186	2	111.0495	5.561	4	111.0495	5.561	4	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.7745	0.049	2	111.0495	5.561	4	111.0495	5.561	4	110.0170	5.899	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:1:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(CCO)(H){5|C<3>}	O(C[6]C[6]N[6]H)(CH3)	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:2:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	109.7630	6.896	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:2:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	109.7630	6.896	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:3:2:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	109.7630	6.896	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[5a,6]HO)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.3225	0.209	2	111.3225	0.044	2	111.3225	0.044	2	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.7440	0.393	2	111.7440	0.155	2	110.2266	6.421	5	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.6550	0.000	1	112.6550	0.000	1	110.2266	6.421	5	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.2650	0.000	1	107.2650	0.000	1	110.2266	6.421	5	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.7250	0.000	1	107.7250	0.000	1	110.2266	6.421	5	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(PO3)(H){1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.0080	0.000	1	107.0080	0.000	1	106.6695	0.229	2	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	106.3310	0.000	1	106.3310	0.000	1	106.6695	0.229	2	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.6645	0.613	2	113.6645	0.376	2	113.6645	0.376	2	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	110.2360	0.000	1	110.2360	0.000	1	110.3433	1.561	3	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.3970	1.762	2	110.3970	3.105	2	110.3433	1.561	3	110.5626	5.483	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.3555	0.003	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.3555	0.003	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:2:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.6010	0.003	4	110.6010	0.000	4	110.5004	1.975	7	110.0263	3.492	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:2:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	110.3663	2.425	3	110.3663	5.879	3	110.5004	1.975	7	110.0263	3.492	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:2:	4:1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	110.0263	3.492	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:2:	4:4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[3x6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[3x6]C[6]H)(H)	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	110.0010	9.568	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[5a,6]C[6]H)(H)	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	110.0010	9.568	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	110.0010	9.568	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	106.9730	4.121	2	106.9730	16.983	2	106.9730	16.983	2	110.0010	9.568	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	110.0010	9.568	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	110.3941	6.198	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6]H)(H)	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	110.3941	6.198	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.6490	0.795	2	113.6490	0.632	2	113.6490	0.632	2	110.3941	6.198	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.7703	1.299	3	109.7703	1.688	3	109.7703	1.688	3	110.3941	6.198	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:O-2:O-2:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2{1|O<1>,2|C<3>}	O(C[6]C[6]2O)(H)	109.0550	0.875	2	109.0550	0.766	2	109.0550	0.766	2	109.0550	0.766	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:3:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[5a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2{1|N<2>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	103.5930	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:3:1:1:	4:4:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:3:2:1:	4:4:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6,6a]C[6]O)(CH3)	109.0525	7.196	2	109.0525	51.786	2	109.0525	51.786	2	109.0525	51.786	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:3:4:4:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2	O(C[6]C[6]2O[6])(H)	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>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	O(C[6]C[6]2O[6])(H)	108.8205	0.489	2	108.8205	0.239	2	108.8205	0.239	2	107.9656	1.013	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6a]C[6]O[6])(H)	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	107.9656	1.013	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	107.7285	0.844	2	107.7285	0.712	2	107.7285	0.712	2	107.9656	1.013	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6a]C[6]O[6])(H)	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:2:2:	4:4:4:1:	4:4:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	O(C[6]C[5a]C[6]O[6])(CH3)	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>}	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	O(C[6]C[5a]C[6]O[6])(CH3)	105.6785	0.333	2	105.6785	0.111	2	105.6785	0.111	2	105.6785	0.111	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	3:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	113.5345	0.745	2	113.5345	0.554	2	113.5345	0.554	2	113.5345	0.554	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	3:4:3:2:	4:1:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5a]C[6])(H)	109.7848	0.266	4	109.7848	0.071	4	109.7848	0.071	4	109.7848	0.071	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	108.1367	0.233	6	108.1367	0.054	6	108.1367	0.054	6	108.1367	0.054	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:3:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(CCHH)	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:3:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	106.8460	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H){1|N<3>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	114.9605	1.042	4	114.9605	1.087	4	114.9605	1.087	4	114.6318	1.355	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	113.3170	0.000	1	113.3170	0.000	1	113.3170	0.000	1	114.6318	1.355	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.0165	0.156	2	105.0165	0.024	2	105.0165	0.024	2	108.7658	13.941	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2{2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]N[6])(H)	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	108.7658	13.941	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]N[5a,6]C[6]C)(H)	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	108.7658	13.941	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:1:1:	4:1:	N[6]-3:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]C)(H)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	108.7658	13.941	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:2:2:	4:4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(CN)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(CCHH)	102.4900	0.000	1	102.4900	0.000	1	102.4900	0.000	1	102.4900	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	O(C[6]C[6a]C[6]2)(H)	112.5670	0.890	2	112.5670	0.791	2	111.9350	1.594	3	111.9350	1.594	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.6710	0.000	1	110.6710	0.000	1	111.9350	1.594	3	111.9350	1.594	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:4:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	105.0830	0.000	1	105.0830	0.000	1	105.0830	0.000	1	107.9887	6.382	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:3:2:	4:4:4:4:	4:1:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	109.4415	0.315	2	109.4415	0.099	2	109.4415	0.099	2	107.9887	6.382	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	2:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	3:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	107.8810	4.980	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	3:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	107.8810	4.980	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	3:4:3:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C-3:F-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	108.9838	1.426	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	3:4:3:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	O(C[6]N[5a,6]C[6]C)(H)	109.4507	0.912	3	109.4507	0.831	3	109.4507	0.831	3	108.9838	1.426	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	3:4:4:2:	4:4:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	103.9295	0.343	2	103.9295	0.118	2	103.9295	0.118	2	103.9295	0.118	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:2:2:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	O(C[6]C[6]2C)(H)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	110.7160	0.000	1	110.7160	0.000	1	109.9807	0.465	3	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	109.6130	0.345	2	109.6130	0.119	2	109.9807	0.465	3	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6]3)(H)	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.9670	0.000	1	108.6410	0.213	2	108.0265	1.648	4	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.3150	0.000	1	108.6410	0.213	2	108.0265	1.648	4	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.1430	0.000	1	106.1430	0.000	1	108.0265	1.648	4	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.6810	0.000	1	108.6810	0.000	1	108.0265	1.648	4	108.5528	2.549	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:2:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	103.9010	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:2:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.4525	0.205	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.4525	0.205	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	104.5440	0.000	1	104.5440	0.000	1	104.5440	0.000	1	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	102.4290	0.000	1	102.4290	0.000	1	104.4785	2.021	4	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	104.6190	0.000	1	104.6190	0.000	1	104.4785	2.021	4	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.5350	0.000	1	105.5350	0.000	1	104.4785	2.021	4	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.3310	0.000	1	105.3310	0.000	1	104.4785	2.021	4	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:3:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	103.8060	0.266	2	103.8060	0.071	2	103.8060	0.071	2	104.2957	1.135	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.0730	0.000	1	110.0153	0.709	3	110.0153	0.709	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.8270	0.000	1	110.0153	0.709	3	110.0153	0.709	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	109.1460	0.000	1	110.0153	0.709	3	110.0153	0.709	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	109.3965	1.527	8	109.3965	2.332	8	109.3965	2.332	8	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5a,6]C[6]C)(H)	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	108.3577	3.355	12	108.3577	11.259	12	108.7887	8.689	20	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5a]C[6]2)(H)	108.9865	2.784	2	108.9865	7.750	2	108.7887	8.689	20	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	109.0252	2.762	4	109.0252	7.627	4	108.7887	8.689	20	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5a]C[6]2)(H)	110.7035	0.858	2	110.7035	0.736	2	108.7887	8.689	20	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5]C[6])(H)	107.8250	2.596	3	107.8250	6.740	3	107.8250	6.740	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	106.5970	0.000	1	106.5970	0.000	1	107.8070	2.295	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	109.5060	0.000	1	109.5060	0.000	1	107.8070	2.295	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	107.3180	0.000	1	107.3180	0.000	1	107.8070	2.295	3	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6,6a]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]2)(H)	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2C)(H)	109.4425	0.254	2	109.4425	0.064	2	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2C)(H)	109.1310	0.000	1	109.1310	0.000	1	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.9965	3.398	2	107.9965	11.544	2	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(H)	105.5160	0.000	1	105.5160	0.000	1	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	O(C[6]C[6]2C)(H)	107.9250	1.598	2	107.9250	2.554	2	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	110.8300	0.000	1	110.8300	0.000	1	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	109.0490	0.000	1	109.0490	0.000	1	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	106.8260	0.000	1	106.8260	0.000	1	108.3709	3.476	11	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2{1|N<3>,4|C<3>,4|H<1>}	O(C[6]C[6]3)(H)	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH){1|C<4>,2|C<3>,6|F<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	O(C[6]C[6a]C[6]2)(H)	103.8730	3.267	4	103.8730	10.672	4	103.8730	10.672	4	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.7935	0.036	2	109.7935	0.001	2	107.3835	7.778	4	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	104.9735	0.315	2	104.9735	0.099	2	107.3835	7.778	4	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	106.5110	0.018	2	106.5110	0.000	2	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.8180	0.000	1	105.4338	0.106	8	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<2>,5|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.1843	0.041	3	105.4338	0.106	8	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.5247	0.353	4	105.4338	0.106	8	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.1550	0.000	1	106.1550	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.0460	0.000	1	110.4622	0.885	6	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.7454	0.711	5	110.4622	0.885	6	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.1900	0.000	1	110.1900	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.6700	0.161	2	105.6700	0.026	2	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.6260	0.000	1	110.6260	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.3873	3.365	3	109.3873	11.320	3	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.8215	3.492	2	107.5563	6.309	3	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.0260	0.000	1	107.5563	6.309	3	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.8730	0.464	2	105.8730	0.215	2	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.4340	0.000	1	109.4340	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.6855	0.047	2	109.6855	0.002	2	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|H<1>,6|C<3>}	O(C[6]C[6a]C[6]2)(H)	109.7250	0.000	1	109.7250	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.3290	0.000	1	106.8324	4.914	9	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.7770	4.248	2	106.8324	4.914	9	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	106.4375	2.126	4	106.8324	4.914	9	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.4295	1.524	2	106.8324	4.914	9	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.0560	0.000	1	105.0560	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.7720	2.050	5	107.8943	5.122	69	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.8245	2.708	2	107.8943	5.122	69	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.6292	2.394	6	107.8943	5.122	69	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.5122	2.322	10	107.8943	5.122	69	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.1370	2.290	46	107.8943	5.122	69	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.1800	0.000	1	109.1800	0.000	1	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]2)(H)	107.2127	0.533	4	107.2127	0.284	4	107.7604	5.117	117	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[5,6]C[6]C)(H)	112.1505	0.490	2	112.1505	0.240	2	112.1505	0.240	2	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	O(C[6]N[5a,6]C[6]C)(H)	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:1:	N[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	O(C[6]C[6]N[6]C)(H)	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	108.0386	5.898	181	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:2:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(OH)	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(CH3)	108.7235	6.519	2	108.7235	42.495	2	108.8925	26.688	4	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CF3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(CF3)	113.3890	0.000	1	113.3890	0.000	1	108.8925	26.688	4	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2C)(CH3)	104.7340	0.000	1	104.7340	0.000	1	108.8925	26.688	4	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	104.0050	0.000	1	104.0050	0.000	1	106.9938	12.680	17	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6a]C[6]2)(CH3)	106.9700	4.463	2	106.9700	19.921	2	106.9938	12.680	17	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(CHHO)	107.1954	3.717	12	107.1954	13.814	12	106.9938	12.680	17	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	107.3020	4.624	2	107.3020	21.386	2	106.9938	12.680	17	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)2	106.5125	5.440	4	106.5125	29.589	4	106.5125	29.589	4	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:1:1:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	O(C[6]C[6a]C[6]2)(SiC3)	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	107.3039	15.611	26	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a]C[6]2)(H)	108.2410	0.124	2	108.2410	0.015	2	108.4455	4.686	4	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	108.6500	3.725	2	108.6500	13.876	2	108.4455	4.686	4	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	107.1930	3.672	4	107.1930	13.483	4	107.1930	13.483	4	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.4220	0.000	1	109.0885	0.222	2	106.7693	16.247	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.7550	0.000	1	109.0885	0.222	2	106.7693	16.247	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	102.1310	0.000	1	102.1310	0.000	1	106.7693	16.247	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.1545	0.260	2	111.1545	0.067	2	111.1545	0.067	2	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	O(C[6]N[6,6]C[6]C)(H)	111.1900	0.000	1	109.9357	4.483	3	109.9357	4.483	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	O(C[6]N[6,6]C[6]C)(H)	111.1260	0.000	1	109.9357	4.483	3	109.9357	4.483	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:2:1:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	O(C[6]N[6,6]C[6]C)(H)	107.4910	0.000	1	109.9357	4.483	3	109.9357	4.483	3	108.2965	8.586	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	O(C[6]C[6,6a]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]2)(H)	104.4620	0.000	1	104.4620	0.000	1	104.4620	0.000	1	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.3613	0.210	3	110.5797	0.173	7	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,3|H<1>,5|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.7435	0.482	4	110.5797	0.173	7	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	111.3230	0.000	1	111.3230	0.000	1	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.9680	0.000	1	110.9680	0.000	1	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(COO)(H){3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	104.7350	0.000	1	104.7350	0.000	1	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)(H){1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.4650	0.000	1	110.4650	0.000	1	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.4213	1.290	4	110.4213	1.664	4	110.2156	2.787	15	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	105.0110	0.000	1	105.0110	0.000	1	105.1382	7.764	4	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.1190	0.000	1	109.1190	0.000	1	105.1382	7.764	4	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	103.2115	0.059	2	103.2115	0.003	2	105.1382	7.764	4	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6]N[5a,6]C[6]C)(H)	105.8190	0.000	1	105.8190	0.000	1	105.7155	0.021	2	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:1:	4:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6]N[5a,6]C[6]C)(H)	105.6120	0.000	1	105.6120	0.000	1	105.7155	0.021	2	108.6589	8.357	23	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:3:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)2	O(C[6]C[6a]C[6]2)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(COO)2{1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]2)(SiC3)	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:3:4:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5]C[6]2)(H)	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	O(C[6]C[5a,6]C[6]C)(H)	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	112.8445	2.857	2	112.8445	8.165	2	112.8445	8.165	2	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	106.1014	1.700	5	106.1014	2.889	5	107.2262	6.586	10	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.4770	0.000	2	110.4770	0.000	2	107.2262	6.586	10	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.5850	0.000	1	110.5850	0.000	1	107.2262	6.586	10	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6a]C[6]2)(H)	105.1080	0.000	2	105.1080	0.000	2	107.2262	6.586	10	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	108.1657	8.959	15	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5a]C[6]2)(H)	106.2875	0.098	2	106.2875	0.010	2	106.2875	0.010	2	108.2792	3.377	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	108.2792	3.377	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	108.2090	0.099	2	108.2090	0.010	2	108.7673	0.940	3	108.2792	3.377	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	3:4:4:2:	4:4:4:3:	4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	O(C[6]C[6]2C)(H)	109.8840	0.000	1	109.8840	0.000	1	108.7673	0.940	3	108.2792	3.377	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:3:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	108.8455	1.613	2	109.0130	1.385	3	109.0130	1.385	3	109.0562	0.926	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:3:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	109.3480	0.000	1	109.0130	1.385	3	109.0130	1.385	3	109.0562	0.926	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:3:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	109.1210	0.960	2	109.1210	0.922	2	109.1210	0.922	2	109.0562	0.926	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:3:4:2:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CH3)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.8545	0.513	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.8545	0.513	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	108.8060	1.388	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	108.8060	1.388	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	3:4:4:2:	4:4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:3:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:3:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:3:4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	109.1045	0.375	2	109.1045	0.141	2	109.2922	5.597	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]O[6]H)(H)	112.3530	0.000	1	112.3530	0.000	1	109.2922	5.597	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	106.6070	0.000	1	106.6070	0.000	1	109.2922	5.597	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	108.7550	0.225	2	108.7550	0.051	2	108.7550	0.051	2	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	107.1590	0.533	2	107.1590	0.284	2	108.2605	3.486	6	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]O[6]H)(H)	108.8113	2.122	4	108.8113	4.502	4	108.2605	3.486	6	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	O(C[6]C[6]O[6]H)(H)	109.6120	0.290	2	109.6120	0.084	2	109.0805	0.405	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	108.5560	0.000	1	108.5560	0.000	1	109.0805	0.405	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	108.5420	0.000	1	108.5420	0.000	1	109.0805	0.405	4	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	108.7256	2.468	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	105.2510	0.000	1	105.2510	0.000	1	105.2510	0.000	1	105.2510	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.2680	0.093	2	107.2680	0.009	2	107.2680	0.009	2	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	108.7780	0.000	1	107.6365	3.217	4	107.6365	3.217	4	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	107.2560	1.989	3	107.6365	3.217	4	107.6365	3.217	4	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	105.3740	0.000	1	105.3740	0.000	1	105.3740	0.000	1	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.9420	0.000	1	109.9420	0.000	1	109.5195	0.357	2	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2{2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.0970	0.000	1	109.0970	0.000	1	109.5195	0.357	2	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	107.5150	0.000	1	107.5150	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.8710	0.000	1	107.8710	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.1020	0.000	1	109.1020	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	109.5640	0.000	1	109.5640	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	109.9860	0.000	1	108.2360	1.980	5	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.7985	1.168	4	108.2360	1.980	5	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	108.0160	0.000	1	108.0160	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.3030	0.000	1	109.3030	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.0320	0.000	1	108.0320	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	109.3637	0.863	3	109.3637	0.745	3	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	109.5235	0.272	2	109.5235	0.074	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	109.0040	0.000	1	109.0040	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	108.4340	0.000	1	108.4340	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	109.5720	0.000	1	109.5720	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	105.8330	1.638	2	105.8330	2.682	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]O[6]H)(CH3)	107.8880	0.000	1	107.8880	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	109.3290	0.429	2	109.3290	0.184	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]O[6]H)(CH3)	109.1868	1.923	5	109.1868	3.699	5	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	109.6040	0.000	1	109.4445	0.051	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	109.2850	0.000	1	109.4445	0.051	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	109.4860	0.000	1	109.4860	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.2975	0.047	2	109.2975	0.002	2	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	110.0600	0.000	1	110.0600	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	107.6280	0.000	1	107.6280	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	107.6950	0.000	1	107.6950	0.000	1	108.7166	1.667	38	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	109.3105	0.728	2	109.3105	0.529	2	109.3105	0.529	2	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)2	108.1883	0.510	6	108.1883	0.260	6	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)2	107.6235	0.592	2	107.6235	0.350	2	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.6960	0.000	1	107.6960	0.000	1	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	108.5020	0.682	2	108.5020	0.465	2	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.9710	1.105	2	107.9710	1.220	2	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	108.4780	0.932	2	108.4780	0.869	2	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.9960	0.000	1	107.9960	0.000	1	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.8630	0.000	1	108.8630	0.000	1	108.1667	0.377	17	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.1028	0.828	12	107.2291	0.836	13	107.2291	0.836	13	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.7440	0.000	1	107.2291	0.836	13	107.2291	0.836	13	108.2386	1.621	81	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	107.3270	0.000	1	107.3270	0.000	1	107.3270	0.000	1	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	107.3190	0.000	1	107.3190	0.000	1	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(H)	109.1625	1.189	2	109.1625	1.413	2	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]O[6]H)(H)	109.1130	0.000	1	108.3800	1.075	2	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	107.6470	0.000	1	108.3800	1.075	2	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	110.3180	0.000	1	110.3180	0.000	1	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	110.1390	2.925	39	110.1390	8.555	39	109.9587	7.777	45	109.9015	7.755	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-3:	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(NOO)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(NOO)	105.1940	0.478	2	105.1940	0.228	2	105.1940	0.228	2	105.5370	0.805	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(NC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(NC[6a]C)	105.4203	0.766	3	105.4203	0.587	3	105.7048	0.715	4	105.5370	0.805	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(NOO)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(NOO)	106.5580	0.000	1	106.5580	0.000	1	105.7048	0.715	4	105.5370	0.805	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	105.5445	1.706	2	105.5445	2.911	2	105.5445	2.911	2	105.5370	0.805	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6]H)(CH3)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	109.3480	0.000	1	109.3480	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6]HH)	105.6810	0.000	1	105.6810	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	109.3915	0.095	2	109.3915	0.009	2	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.5940	0.000	1	108.5940	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	108.7840	0.000	1	107.6365	0.691	4	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]O[6]H)(CH3)	107.6790	0.000	1	107.6365	0.691	4	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.0415	0.214	2	107.6365	0.691	4	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	109.5860	0.000	1	109.5860	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	109.5500	0.000	1	109.5500	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	108.3050	0.000	1	108.3050	0.000	1	108.3661	1.585	12	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[4]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	108.6473	0.958	3	108.6473	0.918	3	108.6473	0.918	3	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	105.9115	0.486	2	105.9115	0.236	2	105.9115	0.236	2	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.9610	0.000	1	107.9610	0.000	1	106.3030	1.772	4	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	106.1035	0.950	2	106.1035	0.902	2	106.3030	1.772	4	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	105.0440	0.000	1	105.0440	0.000	1	106.3030	1.772	4	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]O[6]H)(CH3)	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	105.5390	0.139	2	105.9647	0.553	3	106.5523	0.738	6	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	106.8160	0.000	1	105.9647	0.553	3	106.5523	0.738	6	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	106.8575	0.176	2	106.8575	0.031	2	106.5523	0.738	6	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]O[6]H)(CH3)	107.7050	0.000	1	107.7050	0.000	1	106.5523	0.738	6	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.6830	0.000	1	107.6830	0.000	1	107.6830	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	107.1165	1.237	2	107.1165	1.530	2	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	107.8500	0.000	1	107.8500	0.000	1	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	109.1650	0.000	1	108.4253	3.878	4	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	108.1787	2.335	3	108.4253	3.878	4	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	107.2810	0.000	1	107.2810	0.000	1	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	108.8610	0.000	1	108.5469	3.564	10	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	109.2740	0.000	1	108.5469	3.564	10	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	105.8530	0.000	1	108.5469	3.564	10	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	109.6623	2.093	4	108.5469	3.564	10	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	107.6107	1.313	3	108.5469	3.564	10	108.2519	2.936	18	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.8690	0.000	1	108.8690	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	106.7780	0.000	1	106.7780	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.1425	0.866	11	108.1425	0.750	11	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	105.9980	0.000	1	105.9980	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.4810	0.086	2	108.4810	0.007	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CH3)	108.4630	0.000	1	108.4630	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.0580	0.000	1	107.0580	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	109.4570	0.000	1	109.4570	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	107.7110	0.000	1	108.4382	0.358	4	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	108.6807	0.430	3	108.4382	0.358	4	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.8080	0.000	1	108.4775	0.896	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	109.1470	0.000	1	108.4775	0.896	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	107.4383	0.831	3	107.4383	0.690	3	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	109.3482	2.169	10	109.3482	4.702	10	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHO)	107.0970	0.000	1	107.0970	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	O(C[6]C[6]O[6]H)(CH3)	107.6900	0.000	1	108.6928	4.591	20	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.3680	0.000	1	108.6928	4.591	20	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]O[6]H)(CH3)	108.0150	0.000	1	108.6928	4.591	20	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.8108	2.310	17	108.6928	4.591	20	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(CCHH)	108.0410	0.348	2	108.0410	0.121	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.7335	1.545	4	108.7335	2.386	4	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC3)	108.7880	0.000	1	108.7880	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	107.3720	0.000	1	107.3720	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	105.6670	0.000	1	108.4049	3.041	7	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	108.7778	1.524	5	108.4049	3.041	7	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CCHH)	109.2780	0.000	1	108.4049	3.041	7	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[5]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[5]CC)	108.5190	0.952	5	108.5190	0.907	5	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[5]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[5]HH)	109.5640	0.000	1	109.5640	0.000	1	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6]HH)	107.9800	0.000	1	107.6100	0.088	4	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6]HH)	107.4867	0.202	3	107.6100	0.088	4	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	107.1295	0.807	2	107.1295	0.651	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	107.4810	0.000	1	107.4847	0.786	3	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.3730	0.000	1	107.4847	0.786	3	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	106.6000	0.000	1	107.4847	0.786	3	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.3265	0.019	2	108.0779	0.819	34	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.5730	0.596	5	108.0779	0.819	34	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(CH3)	108.9620	0.000	1	108.0779	0.819	34	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.1219	0.967	26	108.0779	0.819	34	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.3935	0.411	2	108.3935	0.169	2	108.2990	1.940	125	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	107.7970	0.437	2	107.7970	0.191	2	109.0122	2.055	4	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	110.2275	0.260	2	110.2275	0.067	2	109.0122	2.055	4	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	108.8710	0.576	3	108.8710	0.332	3	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.9400	0.000	1	109.2423	2.322	26	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.7500	0.550	2	109.2423	2.322	26	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.3852	1.530	23	109.2423	2.322	26	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)2	107.9496	1.406	10	107.9822	1.394	14	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)2	108.0637	0.313	4	107.9822	1.394	14	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.3180	0.000	1	107.6630	2.355	3	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.8355	0.776	2	107.6630	2.355	3	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	106.1550	1.745	2	106.1550	3.046	2	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	110.9375	3.116	2	110.9375	9.711	2	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.4480	2.160	2	108.4481	3.108	90	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.0745	1.138	2	108.4481	3.108	90	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.8710	2.339	2	108.4481	3.108	90	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.5422	1.731	84	108.4481	3.108	90	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)2	108.3343	2.346	15	108.3343	5.505	15	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)2	105.8850	0.292	4	105.8850	0.085	4	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.0990	0.000	1	109.0990	0.000	1	108.4614	3.269	160	108.3221	2.704	340	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	111.5623	8.428	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	111.3580	3.520	3	111.3580	12.391	3	111.3580	12.391	3	111.5623	8.428	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	O(C[6]C[6]O[6]H)2	111.6280	0.397	3	111.6280	0.158	3	111.6280	0.158	3	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	109.1787	1.325	3	109.1787	1.755	3	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	109.9700	0.000	1	109.9700	0.000	1	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	107.3520	0.000	1	107.3520	0.000	1	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.5915	0.426	2	107.5915	0.182	2	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	109.1440	1.369	2	109.1440	1.874	2	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	107.1280	0.000	1	107.1280	0.000	1	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHO)	108.5645	1.019	2	108.5645	1.038	2	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.9620	0.000	1	108.5790	0.293	2	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.1960	0.000	1	108.5790	0.293	2	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.4203	1.169	6	108.4203	1.367	6	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	106.9240	0.000	1	106.9240	0.000	1	108.4376	1.271	21	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.4235	0.149	2	108.4235	0.022	2	108.4235	0.022	2	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6]O[6]H)(CCHH)	106.4110	0.000	1	106.4110	0.000	1	108.0445	1.693	6	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6]O[6]H)(CCHH)	106.7360	0.000	1	106.7360	0.000	1	108.0445	1.693	6	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	109.3865	0.330	2	109.3865	0.109	2	108.0445	1.693	6	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6]O[6]H)(CH3)	108.1735	0.582	2	108.1735	0.339	2	108.0445	1.693	6	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OCoC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	108.5649	2.169	34	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	O(C[6]C[6]O[6]H)(H)	112.8760	0.000	1	112.8760	0.000	1	111.1277	3.342	3	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	111.2780	0.000	1	111.2780	0.000	1	111.1277	3.342	3	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	109.2290	0.000	1	109.2290	0.000	1	111.1277	3.342	3	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	110.5170	0.000	1	110.5170	0.000	1	109.5588	2.016	4	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	108.3605	0.436	2	108.3605	0.190	2	109.5588	2.016	4	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	110.9970	0.000	1	110.9970	0.000	1	109.5588	2.016	4	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	109.8814	2.632	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	105.6630	0.000	1	105.6630	0.000	1	105.2790	0.295	2	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	104.8950	0.000	1	104.8950	0.000	1	105.2790	0.295	2	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	109.8303	0.235	3	109.8303	0.055	3	109.3803	2.236	6	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	111.4910	0.000	1	111.4910	0.000	1	109.3803	2.236	6	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.5490	0.000	1	107.5490	0.000	1	109.3803	2.236	6	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	107.7510	0.000	1	107.7510	0.000	1	109.3803	2.236	6	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)2	109.4480	1.766	2	109.4480	3.120	2	109.4480	3.120	2	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	108.2150	0.000	1	108.2150	0.000	1	108.7159	0.504	8	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.2920	0.770	3	108.2920	0.593	3	108.7159	0.504	8	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	109.4805	0.462	2	109.4805	0.213	2	108.7159	0.504	8	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.5750	0.000	1	108.5750	0.000	1	108.7159	0.504	8	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	109.1000	0.000	1	109.1000	0.000	1	108.7159	0.504	8	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NIrHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.4040	1.195	2	108.4040	1.428	2	107.2755	1.503	10	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NRhHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	106.8933	1.316	6	106.8933	1.732	6	107.2755	1.503	10	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.2935	0.138	2	107.2935	0.019	2	107.2755	1.503	10	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.7095	0.313	4	107.7095	0.098	4	107.7095	0.098	4	108.0955	2.315	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:2:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(H)	110.2920	0.228	2	110.2920	0.052	2	110.2737	0.027	3	110.2737	0.027	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:1:	4:4:4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	O(C[6]C[6]O[6]H)(H)	110.2370	0.000	1	110.2370	0.000	1	110.2737	0.027	3	110.2737	0.027	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:2:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:N-2:O-2:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6]-4:C-4:	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	O(C[6]C[6]O[6]N)(CCHH)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	O(C[6]C[6]O[6]N)(CCHH)	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	110.0330	0.000	1	110.0330	0.000	1	109.2810	3.726	6	109.2810	3.726	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	108.1670	0.000	1	109.3042	5.782	4	109.2810	3.726	6	109.2810	3.726	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(H)	112.9010	0.000	1	109.3042	5.782	4	109.2810	3.726	6	109.2810	3.726	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(H)	108.0745	0.303	2	109.3042	5.782	4	109.2810	3.726	6	109.2810	3.726	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.4360	0.000	1	108.4360	0.000	1	109.2810	3.726	6	109.2810	3.726	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]O[6]C)(CH3)	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	104.6648	1.347	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.1325	0.360	2	104.1325	0.130	2	103.9330	0.101	4	104.6648	1.347	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	103.7335	0.121	2	103.7335	0.015	2	103.9330	0.101	4	104.6648	1.347	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2{1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	104.6648	1.347	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	109.7065	0.317	2	109.7065	0.101	2	109.7065	0.101	2	109.7065	0.101	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:3:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	3:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	109.2100	1.510	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	3:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	109.2100	1.510	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	3:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.1690	0.429	2	104.4838	0.330	63	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(CH3)	104.0770	0.222	2	104.4838	0.330	63	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.5083	0.582	59	104.4838	0.330	63	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CCHH)	103.9645	0.933	2	103.9645	0.870	2	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(CH3)	104.3955	0.586	2	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	O(C[6]C[6]O[6]C)(CH3)	105.0005	0.674	13	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.1800	0.000	1	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	105.1950	0.000	1	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	104.7490	0.254	6	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	O(C[6]C[6]O[6]C)(CH3)	103.7860	0.000	1	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(CH3)	105.6852	0.498	13	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.5178	0.568	6	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	103.9940	0.404	2	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(CH3)	103.9070	0.000	1	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	104.9770	0.008	2	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:2:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.5121	0.569	8	104.9002	0.518	56	104.6680	0.466	121	104.6680	0.466	121	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:3:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CCHH)	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	O(C[6]C[6]N[6]C)(H)	110.4920	0.000	1	110.4920	0.000	1	107.3698	3.180	5	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	O(C[6]C[6]N[6]C)(H)	106.0500	0.000	1	106.0500	0.000	1	107.3698	3.180	5	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	O(C[6]C[6]N[6]C)(H)	106.4870	0.000	1	106.4870	0.000	1	107.3698	3.180	5	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	O(C[6]C[6]N[6]C)(H)	106.9100	0.170	2	106.9100	0.029	2	107.3698	3.180	5	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2{2|H<1>,4|C<4>}	O(C[6]C[6]O[6]C)(H)	106.6520	0.000	1	106.6520	0.000	1	106.6520	0.000	1	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	O(C[6]C[6]O[6]C)(H)	110.0770	0.000	1	110.0770	0.000	1	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(H)	107.5530	0.000	1	107.5530	0.000	1	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	108.9467	1.694	4	108.9467	2.871	4	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	110.8600	3.602	2	110.8600	12.974	2	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.5220	0.348	3	109.8292	6.136	6	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	109.0440	0.000	1	109.8292	6.136	6	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	112.1825	3.690	2	109.8292	6.136	6	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	108.0580	0.000	1	108.0580	0.000	1	109.4780	4.574	15	108.8415	4.923	21	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(OH)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	O(C[6]C[6]O[6]C)(OH)	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	105.9330	0.000	1	105.9330	0.000	1	105.9330	0.000	1	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2{3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	104.8770	0.000	1	104.8770	0.000	1	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CC[6a]CH)	110.6150	0.000	1	110.6150	0.000	1	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	O(C[6]C[6]O[6]C)(CH3)	105.9730	0.136	2	105.9730	0.018	2	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CCCH)	105.6390	0.120	2	105.6390	0.014	2	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]C)(CH3)	107.5470	0.000	2	106.3305	0.947	6	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	O(C[6]C[6]O[6]C)(CH3)	105.5050	0.000	2	106.3305	0.947	6	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[6]O[6]C)(CH3)	105.9395	0.327	2	106.3305	0.947	6	106.3916	2.400	12	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	O(C[6]C[6]O[6]C)(SiC3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	O(C[6]C[6]O[6]C)(SiC3)	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	106.5399	2.518	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	107.4705	0.588	2	107.4705	0.345	2	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	106.3405	0.791	4	106.3405	0.626	4	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	108.7925	3.006	4	108.7925	9.034	4	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	103.9280	0.000	1	103.9280	0.000	1	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	106.8298	0.604	6	106.8298	0.365	6	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	107.7920	0.000	1	107.7920	0.000	1	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(H)	108.2100	0.000	1	108.2100	0.000	1	107.1780	3.182	19	107.1890	3.017	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(CCHH)	104.3620	0.000	1	104.3620	0.000	1	104.7050	0.235	2	104.7050	0.235	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]C)(CH3)	105.0480	0.000	1	105.0480	0.000	1	104.7050	0.235	2	104.7050	0.235	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	108.7990	0.000	1	108.7990	0.000	1	109.7850	1.944	2	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	110.7710	0.000	1	110.7710	0.000	1	109.7850	1.944	2	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){4|C<3>}	O(C[6]C[6]O[6]C)(H)	108.6220	0.000	1	108.6220	0.000	1	110.5777	9.717	4	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]O[6]C)(H)	111.6920	0.000	1	111.6920	0.000	1	110.5777	9.717	4	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){1|C<4>,4|C<3>}	O(C[6]C[6]O[6]C)(H)	114.4430	0.000	1	114.4430	0.000	1	110.5777	9.717	4	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:3:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	107.5540	0.000	1	107.5540	0.000	1	110.5777	9.717	4	110.3135	6.386	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	108.2956	3.368	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	110.7710	0.000	2	110.7710	0.000	2	108.4995	3.809	6	108.2956	3.368	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	106.5315	0.104	2	106.5315	0.011	2	108.4995	3.809	6	108.2956	3.368	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	108.1960	0.885	2	108.1960	0.784	2	108.4995	3.809	6	108.2956	3.368	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	108.2956	3.368	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:2:4:2:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	102.5650	0.000	1	102.5650	0.000	1	102.5650	0.000	1	102.5650	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	108.9489	0.541	7	108.9489	0.292	7	108.9489	0.292	7	108.9489	0.292	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	110.4495	3.098	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	110.4495	3.098	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:3:4:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6]N[6]H)(H)	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:3:4:4:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6]N[6]H)(CH3)	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[6]C[6]2H)(H)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	110.5705	10.238	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	110.5705	10.238	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	105.9800	0.000	1	105.9800	0.000	1	105.9800	0.000	1	107.3303	5.613	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	108.0055	2.914	2	108.0055	8.491	2	108.0055	8.491	2	107.3303	5.613	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	112.1580	0.000	1	112.1580	0.000	1	108.2677	11.394	3	108.2677	11.394	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(CH3)	106.1160	0.000	1	106.1160	0.000	1	108.2677	11.394	3	108.2677	11.394	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(CH3)	106.5290	0.000	1	106.5290	0.000	1	108.2677	11.394	3	108.2677	11.394	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:2:2:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	O(C[6]C[6]2H)(CH3)	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	111.4300	1.790	2	111.4300	3.206	2	111.4300	3.206	2	111.4300	3.206	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:3:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	109.2920	6.618	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	109.2920	6.618	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	105.8430	0.663	2	106.3265	0.467	4	106.2654	0.369	5	106.2654	0.369	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	106.8100	0.160	2	106.3265	0.467	4	106.2654	0.369	5	106.2654	0.369	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	106.0210	0.000	1	106.0210	0.000	1	106.2654	0.369	5	106.2654	0.369	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	3:4:4:4:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	110.1225	2.584	2	110.1225	6.680	2	110.1225	6.680	2	110.1225	6.680	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.6145	0.503	2	112.6145	0.253	2	112.6145	0.253	2	112.6145	0.253	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CH3)	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.7900	0.000	1	111.7900	0.000	1	111.4848	3.557	5	111.4848	3.557	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	113.8020	0.000	1	113.8020	0.000	1	111.4848	3.557	5	111.4848	3.557	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	108.8290	0.000	1	110.6280	6.473	2	111.4848	3.557	5	111.4848	3.557	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.4270	0.000	1	110.6280	6.473	2	111.4848	3.557	5	111.4848	3.557	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	110.5760	0.000	1	110.5760	0.000	1	111.4848	3.557	5	111.4848	3.557	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:1:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2{1|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	107.7035	4.191	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:1:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]N[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	107.7035	4.191	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	O(C[6]C[6]2H)(CCHH)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	107.2610	0.000	1	107.2610	0.000	1	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	112.4060	0.000	1	112.4060	0.000	1	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0050	0.000	1	112.0050	0.000	1	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3810	0.000	1	111.3810	0.000	1	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9175	0.919	2	111.9175	0.844	2	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6]C[6]2H)(H)	113.2100	0.130	2	113.2100	0.017	2	111.6635	3.700	8	111.6635	3.700	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:2:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:O-2:	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	O(C[6]C[6]N[6]H)(OH)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6]H)(OH)	109.8010	0.427	2	109.8010	0.182	2	109.8010	0.182	2	109.8010	0.182	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:2:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6]H)(CH3)	106.0200	1.136	4	106.0200	1.291	4	106.0200	1.291	4	106.0200	1.291	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	109.7360	0.361	2	109.7360	0.130	2	109.6527	0.086	3	109.6958	6.437	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	109.4860	0.000	1	109.4860	0.000	1	109.6527	0.086	3	109.6958	6.437	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0240	0.820	2	112.0240	0.673	2	112.0240	0.673	2	109.6958	6.437	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	O(C[6]C[6]N[6]H)(H)	105.1690	0.000	1	105.1690	0.000	1	105.1690	0.000	1	109.6958	6.437	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6]N[6]H)(CH3)	109.1635	2.129	2	109.1635	4.533	2	109.1635	4.533	2	109.1635	4.533	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:3:4:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2{1|C<3>,2|C<4>}	O(C[6]C[6]N[6]H)(H)	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HO)(Br)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	112.0140	1.283	2	112.0140	1.645	2	112.0140	1.645	2	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	111.0770	0.047	2	111.0770	0.002	2	110.2470	2.068	3	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5870	0.000	1	108.5870	0.000	1	110.2470	2.068	3	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2010	0.000	1	112.2010	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6000	0.000	1	110.6000	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(H)	111.0010	0.000	1	111.0010	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	109.4820	0.000	1	109.4820	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.2140	0.000	1	107.2140	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	107.7645	0.231	2	107.7645	0.053	2	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	111.7620	0.000	1	111.7620	0.000	1	109.7236	3.825	8	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	110.6010	0.000	1	110.6010	0.000	1	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6]2H)(H)	111.8520	0.000	1	109.4777	4.080	6	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	112.0610	0.000	1	109.4777	4.080	6	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	108.1245	0.124	2	109.4777	4.080	6	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	107.3830	0.000	1	109.4777	4.080	6	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	O(C[6]C[6]2H)(H)	109.3210	0.000	1	109.4777	4.080	6	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.3400	0.000	1	111.3400	0.000	1	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	111.9700	0.000	1	111.9700	0.000	1	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	111.2760	0.000	1	111.2760	0.000	1	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	O(C[6]C[6]2H)(H)	112.7580	0.000	1	112.7580	0.000	1	110.4374	3.521	11	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.5070	0.000	1	110.5070	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	112.0180	0.000	1	112.0180	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.2768	0.145	4	110.2300	4.095	9	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	111.7540	0.000	1	110.2300	4.095	9	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.2320	0.884	2	110.2300	4.095	9	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	106.5660	0.000	1	110.2300	4.095	9	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.1790	0.000	1	110.2300	4.095	9	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.1900	0.000	1	108.2765	7.323	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	106.3630	0.000	1	108.2765	7.323	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	110.1307	0.587	3	109.5996	3.294	5	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.0800	0.000	1	109.5996	3.294	5	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	106.5260	0.000	1	109.5996	3.294	5	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	111.2120	0.000	1	111.2120	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.4940	0.000	1	110.0445	4.808	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5950	0.000	1	110.0445	4.808	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.4800	0.000	1	111.4800	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	111.7140	0.339	2	110.9643	1.744	3	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4650	0.000	1	110.9643	1.744	3	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	O(C[6]C[6]2H)(H)	111.5140	1.013	2	111.3083	0.640	3	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	110.8970	0.000	1	111.3083	0.640	3	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5685	0.018	2	110.3275	3.331	6	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0340	0.161	2	110.3275	3.331	6	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.4200	0.000	1	110.3275	3.331	6	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	O(C[6]C[6]2H)(H)	113.3400	0.000	1	110.3275	3.331	6	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	O(C[6]C[6]2H)(H)	110.7620	0.000	1	110.7620	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(H)	111.9660	0.000	1	110.9205	2.186	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8750	0.000	1	110.9205	2.186	2	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	O(C[6]C[6]2H)(H)	113.4090	0.000	1	113.4090	0.000	1	110.4401	3.027	38	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6]H)(H)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	O(C[6]C[6]N[6]H)(H)	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	110.2757	2.969	69	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6]2H)(CH3)	106.0897	0.489	3	106.0897	0.239	3	106.0897	0.239	3	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]2H)(SiC3)	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(CH3)	112.9580	0.000	1	110.2705	14.445	2	111.2126	4.567	5	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CH3)	107.5830	0.000	1	110.2705	14.445	2	111.2126	4.567	5	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,1|S<4>,2|C<4>,3|C<3>}	O(C[6]C[6]2H)(CH3)	111.1120	0.000	1	111.1120	0.000	1	111.2126	4.567	5	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CH3)	112.0200	0.000	1	112.0200	0.000	1	111.2126	4.567	5	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CH3)	112.3900	0.000	1	112.3900	0.000	1	111.2126	4.567	5	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]2H)(CCHH)	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.6570	0.000	1	110.6570	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CH3)	112.6930	0.000	1	112.6930	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	112.1780	0.000	1	112.1780	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(CH3)	105.8970	0.000	1	105.8970	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(CH3)	105.9750	0.000	1	105.9750	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.8370	0.000	1	111.8370	0.000	1	109.8728	9.748	6	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	109.5430	0.000	1	109.5430	0.000	1	109.3335	0.088	2	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(SiC[6a]2C)	109.1240	0.000	1	109.1240	0.000	1	109.3335	0.088	2	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	C[6](C[6]C[6]HO)2(H)(I)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8738	0.807	4	108.8738	0.652	4	108.8738	0.652	4	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	O(C[6]C[6]N[6]H)(CH3)	106.4730	0.000	1	106.4730	0.000	1	106.4730	0.000	1	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	106.2820	0.000	1	106.5000	0.095	2	106.8710	0.460	3	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	106.7180	0.000	1	106.5000	0.095	2	106.8710	0.460	3	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	107.6130	0.000	1	107.6130	0.000	1	106.8710	0.460	3	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	O(C[6]C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	O(C[6]C[6]N[6]H)(SiC3)	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	108.9444	5.989	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.5140	3.168	2	110.5140	10.035	2	110.5140	10.035	2	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3120	0.033	2	111.3120	0.001	2	111.0293	0.316	4	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1860	0.000	1	110.7465	0.628	2	111.0293	0.316	4	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3070	0.000	1	110.7465	0.628	2	111.0293	0.316	4	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	113.1840	0.000	1	113.1840	0.000	1	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.0310	0.000	1	107.0310	0.000	1	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8800	2.939	2	110.8800	8.636	2	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.9370	0.000	1	107.9370	0.000	1	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.2740	0.000	1	109.2740	0.000	1	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2880	0.000	1	110.2880	0.000	1	109.9249	5.661	7	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	112.4100	0.000	1	112.4100	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	108.4730	0.000	1	108.4730	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	110.7940	0.000	1	110.7940	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	110.6260	0.000	1	110.6260	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(H)	106.7550	0.000	1	106.7550	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	109.6700	0.000	1	109.6700	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.7140	0.000	1	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	106.3560	0.000	1	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	113.0970	0.000	1	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.3455	0.128	2	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	112.4140	0.000	1	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.6015	1.115	2	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	108.2230	0.000	1	110.6331	4.599	9	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	O(C[6]C[6]2H)(H)	108.7130	0.734	2	108.7130	0.539	2	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	107.3300	0.000	1	107.3300	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.1220	0.000	1	106.1220	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(H)	108.4850	0.000	1	108.4850	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8385	0.004	2	110.5365	0.160	4	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2345	0.342	2	110.5365	0.160	4	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	111.2830	0.000	1	110.7565	0.554	2	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.2300	0.000	1	110.7565	0.554	2	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	112.0890	0.000	1	112.0890	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	O(C[6]C[6]2H)(H)	107.7540	0.000	1	107.7540	0.000	1	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.7550	0.252	2	111.7550	0.063	2	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	107.7320	0.000	1	110.9769	2.325	7	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.5177	0.577	6	110.9769	2.325	7	110.2065	3.515	37	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	110.2341	3.501	52	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(NCH)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(NCH)	103.1955	0.159	2	103.1955	0.025	2	103.1955	0.025	2	103.1955	0.025	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	113.5840	0.000	1	113.5840	0.000	1	109.9667	10.770	3	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.1580	1.383	2	108.1580	1.913	2	109.9667	10.770	3	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CHHO)	111.2270	0.538	4	111.2270	0.289	4	109.7520	6.890	10	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.0910	0.000	1	108.3207	3.069	3	109.7520	6.890	10	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.4355	2.461	2	108.3207	3.069	3	109.7520	6.890	10	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.6580	0.110	2	106.6580	0.012	2	109.7520	6.890	10	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	114.3340	0.000	1	114.3340	0.000	1	109.7520	6.890	10	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.7230	0.000	1	110.7230	0.000	1	108.6357	19.140	3	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)2	111.5760	0.000	1	111.5760	0.000	1	108.6357	19.140	3	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	103.6080	0.000	1	103.6080	0.000	1	108.6357	19.140	3	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(SC[6a]OO)	109.6665	0.500	2	109.6665	0.250	2	109.6665	0.250	2	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.6817	6.739	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	108.4273	16.087	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.5840	0.000	1	105.5840	0.000	1	109.2995	27.610	2	108.4273	16.087	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	113.0150	0.000	1	113.0150	0.000	1	109.2995	27.610	2	108.4273	16.087	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:2:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(OH)	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CH3)	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	105.1330	0.107	2	105.1330	0.012	2	105.1330	0.012	2	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	114.2862	0.401	4	114.2862	0.161	4	112.5350	15.455	5	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	105.5300	0.000	1	105.5300	0.000	1	112.5350	15.455	5	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	107.6705	0.919	4	108.5786	4.756	5	108.5786	4.756	5	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	112.2110	0.000	1	108.5786	4.756	5	108.5786	4.756	5	109.3646	15.165	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	106.8810	0.000	1	106.8810	0.000	1	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(H)	112.0120	0.000	1	112.0120	0.000	1	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	108.2550	0.000	1	107.9585	0.176	2	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.6620	0.000	1	107.9585	0.176	2	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	O(C[6]C[6]2H)(H)	112.9670	0.000	1	112.9670	0.000	1	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.6380	1.706	5	110.6380	2.912	5	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	113.6490	0.000	1	113.6490	0.000	1	110.4196	5.615	11	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.4875	4.707	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	108.3565	1.085	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6]2H)(CH3)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	108.3565	1.085	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.6630	0.000	1	110.4340	1.189	2	111.1488	5.569	4	111.1488	5.569	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2050	0.000	1	110.4340	1.189	2	111.1488	5.569	4	111.1488	5.569	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2680	0.000	1	109.2680	0.000	1	111.1488	5.569	4	111.1488	5.569	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	114.4590	0.000	1	114.4590	0.000	1	111.1488	5.569	4	111.1488	5.569	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	110.1380	12.231	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:2:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:Si-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	O(C[6]C[6]2H)(SiC3)	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	110.1380	12.231	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.9150	0.472	2	106.9150	0.223	2	106.9150	0.223	2	106.9150	0.223	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	111.5027	0.243	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.6515	0.595	2	111.6515	0.354	2	111.6515	0.354	2	111.5027	0.243	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:3:2:2:	4:1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2{1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2O)(H)	109.2255	2.190	4	109.2255	4.797	4	109.2255	4.797	4	109.2255	4.797	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:3:4:1:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2O)(CCHH)	108.4980	7.256	2	108.4980	52.654	2	108.4980	52.654	2	108.4980	52.654	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	O(C[6]C[6]2O)(H)	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2O)(SiC3)	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	108.3917	4.923	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H)	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6a]C[6]O[6])(CH3)	107.1295	0.537	2	107.1295	0.288	2	107.1295	0.288	2	108.3917	4.923	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:2:2:	4:4:	C[6]-4:N[6]-3:O-2:O-2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	O(C[6]C[6]N[6]O)(CH3)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	O(C[6]C[6]N[6]O)(CH3)	110.6720	7.125	2	110.6720	50.763	2	110.6720	50.763	2	110.6720	50.763	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:3:1:	4:1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[6a]C[6]O[6])(H)	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2O)(CH3)	109.3220	6.542	2	109.3220	42.800	2	109.3220	42.800	2	109.3220	42.800	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-2:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	110.6580	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	3:4:4:1:	4:2:	C[6]-4:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(OC)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2C)(OC)	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:2:1:1:	4:3:	C[6]-4:C[6]-3:N-3:O-2:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	C[6](C[6]C[6]NO)(S[6]C[6])(H)2	O(C[6]C[6]2N)(NCH)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	C[6](C[6]C[6]NO)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2N)(NCH)	101.1250	0.000	1	101.1250	0.000	1	101.1250	0.000	1	101.1250	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:3:3:2:	4:4:	C[6]-4:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C[6]-3:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC)	O(C[6]C[6]3)(CH3)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]3)(CH3)	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]2)(CCHH)	99.9998	0.000	1	100.5283	0.238	3	100.5283	0.238	3	103.8424	20.742	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H)	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	O(C[6]C[6a]C[6]2)(CCHH)	100.7925	0.238	2	100.5283	0.238	3	100.5283	0.238	3	103.8424	20.742	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:3:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(SiC3)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2{1|N<2>,2|C<3>}	O(C[6]C[6]N[6]C)(SiC3)	108.8135	0.346	2	108.8135	0.120	2	108.8135	0.120	2	103.8424	20.742	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	O(C[6]C[6]2C)(H)	109.5990	2.174	2	109.6347	2.366	3	109.6347	2.366	3	109.6347	2.366	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:3:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	O(C[6]C[6]2C)(H)	109.7060	0.000	1	109.6347	2.366	3	109.6347	2.366	3	109.6347	2.366	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.2305	2.745	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	109.2305	2.745	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	108.3577	1.119	4	108.2542	0.993	5	108.2542	0.993	5	108.2542	0.993	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	107.8400	0.000	1	108.2542	0.993	5	108.2542	0.993	5	108.2542	0.993	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6]2C)(H)	107.1165	0.226	2	107.1165	0.051	2	107.1165	0.051	2	107.1165	0.051	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	108.0498	1.202	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0498	1.202	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	107.4470	0.447	2	107.4470	0.200	2	107.4470	0.200	2	108.0498	1.202	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	108.0498	1.202	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2C)(H)	106.8720	0.000	1	106.8720	0.000	1	106.8720	0.000	1	108.4060	4.706	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	108.4060	4.706	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:3:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	O(C[6]C[6]N[6]C)(CH3)	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(H)	105.6670	0.000	1	105.6670	0.000	1	105.6670	0.000	1	106.3405	0.907	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	O(C[6]C[6]2C)(H)	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	106.3405	0.907	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	110.1020	0.000	1	110.1020	0.000	1	107.9050	9.654	2	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	105.7080	0.000	1	105.7080	0.000	1	107.9050	9.654	2	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6]C[6a]C[6])(H)	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	109.4260	0.000	1	109.4260	0.000	1	108.3505	2.313	2	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6]2C)(H)	107.2750	0.000	1	107.2750	0.000	1	108.3505	2.313	2	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	108.4940	0.000	1	108.4940	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.3780	0.659	7	105.3780	0.434	7	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]CO)2(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	105.0330	0.028	2	105.0330	0.001	2	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.1140	0.000	1	110.1140	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	104.9460	0.000	1	104.9460	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	110.5530	1.252	2	110.5530	1.566	2	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2C)(H)	107.3620	0.000	1	107.3620	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2C)(H)	108.1990	0.000	1	108.1990	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2C)(H)	105.5910	0.000	1	105.5910	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.4070	0.000	1	106.4070	0.000	1	106.6628	4.328	18	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6a]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	C[6](C[6]N[6]CO)2(H)2	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]CO)2(H)2{1|C<3>,2|H<1>}	O(C[6]C[6]N[6]C)(H)	109.4420	4.113	2	109.4420	16.913	2	109.4420	16.913	2	107.0265	5.211	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(CCCH)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]N[6]C)(CCCH)	104.9480	0.000	1	104.9480	0.000	1	104.9480	0.000	1	104.5690	0.287	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:1:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(CH3)	104.1900	0.000	1	104.1900	0.000	1	104.1900	0.000	1	104.5690	0.287	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	106.8033	2.468	3	106.8033	6.093	3	106.8843	4.088	4	106.8624	3.275	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2C)(H)	107.1270	0.000	1	107.1270	0.000	1	106.8843	4.088	4	106.8624	3.275	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	109.6450	0.000	1	109.6450	0.000	1	106.8405	3.552	4	106.8624	3.275	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2C)(H)	106.0370	0.255	2	106.0370	0.065	2	106.8405	3.552	4	106.8624	3.275	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2C)(H)	105.6430	0.000	1	105.6430	0.000	1	106.8405	3.552	4	106.8624	3.275	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.1874	0.297	5	109.1874	0.088	5	109.1874	0.088	5	110.3773	3.379	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(H)	110.7318	2.406	6	110.7318	5.789	6	110.7739	3.886	15	110.3773	3.379	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(H)	109.4315	0.603	2	109.4315	0.364	2	110.7739	3.886	15	110.3773	3.379	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(H)	109.8907	1.209	4	111.1934	3.374	7	110.7739	3.886	15	110.3773	3.379	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(H)	112.9303	0.103	3	111.1934	3.374	7	110.7739	3.886	15	110.3773	3.379	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	104.0380	0.000	1	104.0380	0.000	1	104.0380	0.000	1	105.9145	7.043	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	105.9145	7.043	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	O(C[6]C[6]2C)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2C)(CC[6a]HH)	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	108.0493	0.107	4	108.0493	0.012	4	107.1437	1.414	7	107.3315	3.600	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	105.9363	0.631	3	105.9363	0.398	3	107.1437	1.414	7	107.3315	3.600	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	109.5140	0.000	1	109.5140	0.000	1	109.7275	0.091	2	107.3315	3.600	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	109.9410	0.000	1	109.9410	0.000	1	109.7275	0.091	2	107.3315	3.600	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2C)(H)	103.8540	0.000	1	103.8540	0.000	1	103.8540	0.000	1	107.3315	3.600	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	106.5180	0.000	1	106.5180	0.000	1	106.5180	0.000	1	108.3794	1.248	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]2H)(H)	108.1890	0.000	1	108.1890	0.000	1	108.8448	0.220	4	108.3794	1.248	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]2H)(H)	109.0955	0.284	2	109.0955	0.080	2	108.8448	0.220	4	108.3794	1.248	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9990	0.000	1	108.9990	0.000	1	108.8448	0.220	4	108.3794	1.248	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	104.7870	0.000	1	104.7870	0.000	1	104.7870	0.000	1	104.7870	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.3270	0.000	1	112.3270	0.000	1	110.0176	3.262	8	110.0176	3.262	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4480	0.000	1	110.4480	0.000	1	110.0176	3.262	8	110.0176	3.262	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5030	2.219	4	109.5030	4.925	4	110.0176	3.262	8	110.0176	3.262	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.4670	0.000	1	110.4670	0.000	1	110.0176	3.262	8	110.0176	3.262	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(H)	108.8870	0.000	1	108.8870	0.000	1	110.0176	3.262	8	110.0176	3.262	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	108.1850	0.000	1	108.1850	0.000	1	110.3860	1.883	5	110.3860	1.883	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	110.9363	0.701	4	110.9363	0.492	4	110.3860	1.883	5	110.3860	1.883	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	105.2655	1.962	2	105.2655	3.850	2	105.2655	3.850	2	105.2655	3.850	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	O(C[6]C[6]2H)(H)	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	111.7944	0.320	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	111.7944	0.320	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	111.4020	0.700	2	111.4020	0.490	2	111.4020	0.490	2	111.7944	0.320	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	C[6]-4:D-1:	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(D)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	O(C[6]C[6]2H)(D)	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	111.7944	0.320	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:3:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	O(C[6]C[3,5,6]C[6]H)(H)	106.1390	0.319	4	106.1390	0.102	4	106.1390	0.102	4	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	110.0130	0.000	1	110.0130	0.000	1	110.3295	0.200	2	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.6460	0.000	1	110.6460	0.000	1	110.3295	0.200	2	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.5400	0.000	1	109.5400	0.000	1	108.4590	0.977	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.6010	0.000	1	107.9185	0.202	2	108.4590	0.977	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.2360	0.000	1	107.9185	0.202	2	108.4590	0.977	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.9220	0.000	1	106.9220	0.000	1	106.9220	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4800	0.075	3	111.4800	0.006	3	110.6653	2.659	4	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	108.2210	0.000	1	108.2210	0.000	1	110.6653	2.659	4	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	O(C[6]C[6]2H)(H)	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	108.8805	1.474	4	108.8805	2.173	4	108.5510	2.172	5	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	107.2330	0.000	1	107.2330	0.000	1	108.5510	2.172	5	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	106.3880	0.000	1	106.3880	0.000	1	109.8385	4.449	64	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	106.7560	0.000	1	109.9434	4.363	60	109.8385	4.449	64	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	109.9975	2.064	59	109.9434	4.363	60	109.8385	4.449	64	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.7630	0.116	2	107.7630	0.013	2	109.8385	4.449	64	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.1420	0.000	1	111.1420	0.000	1	109.8385	4.449	64	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	106.8570	0.000	1	106.8570	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	106.8150	0.000	1	106.8150	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	108.7053	1.450	4	108.7053	2.102	4	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	105.8910	0.000	1	105.8910	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	112.4050	0.000	1	112.4050	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9990	0.000	1	108.9990	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9518	1.718	17	108.9518	2.953	17	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	105.8330	0.000	1	105.8330	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6]C[6]2H)(H)	109.8490	0.345	2	109.8490	0.119	2	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	111.5183	0.305	3	111.1906	0.660	5	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.6990	1.284	2	111.1906	0.660	5	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]2H)(H)	106.0970	0.000	1	106.0970	0.000	1	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	110.7343	2.037	3	111.3012	4.052	4	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	113.0020	0.000	1	111.3012	4.052	4	109.2501	4.266	39	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0950	0.000	1	111.0950	0.000	1	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.0520	0.000	1	109.0520	0.000	1	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	110.9980	0.000	1	110.9980	0.000	1	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.6690	0.000	1	109.6690	0.000	1	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1060	1.666	4	110.1060	2.776	4	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	107.9150	2.068	2	107.9150	4.275	2	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.5385	1.829	4	106.5385	3.346	4	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(H)	107.6200	0.000	1	107.6200	0.000	1	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	108.0735	2.453	2	108.0735	6.017	2	108.6464	4.404	17	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.7580	0.000	1	108.7580	0.000	1	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.1160	0.000	1	108.1160	0.000	1	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.4600	0.000	1	110.4600	0.000	1	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.9313	0.011	3	111.9313	0.000	3	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.4400	0.000	1	108.0750	0.806	2	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7100	0.000	1	108.0750	0.806	2	109.9098	3.521	8	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.0940	0.000	1	109.0940	0.000	1	110.3645	3.228	2	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.6350	0.000	1	111.6350	0.000	1	110.3645	3.228	2	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.0285	0.725	2	109.7057	9.483	4	109.7057	9.483	4	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.3830	2.519	2	109.7057	9.483	4	109.7057	9.483	4	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:D-1:	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(D)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	O(C[6]C[6]2H)(D)	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	109.2890	0.000	1	109.2890	0.000	1	110.4813	1.321	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	110.5730	0.000	1	110.5730	0.000	1	110.4813	1.321	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	111.5820	0.000	1	111.5820	0.000	1	110.4813	1.321	3	109.4373	4.400	161	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SC[6a]O)	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.2700	0.000	2	110.2700	0.000	2	110.2700	0.000	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	112.1270	0.054	4	112.1270	0.003	4	112.1270	0.003	4	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	110.8580	0.150	2	110.8580	0.022	2	110.8580	0.022	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]2H)	111.6240	0.000	1	111.6240	0.000	1	109.3197	6.756	4	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	111.2990	0.000	1	111.2990	0.000	1	109.3197	6.756	4	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CH3)	107.1780	1.366	2	107.1780	1.866	2	109.3197	6.756	4	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]SS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(PC[6a]SS)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	107.1307	0.815	3	107.1307	0.664	3	107.1307	0.664	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6]2H)(CCHH)	110.4480	0.000	1	110.4480	0.000	1	108.1713	3.938	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CF3)	107.2570	0.000	1	107.2570	0.000	1	108.1713	3.938	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	106.8090	0.000	1	106.8090	0.000	1	108.1713	3.938	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	109.8100	0.000	1	109.8100	0.000	1	108.1740	2.339	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(SCOO)	107.3560	0.815	2	107.3560	0.664	2	108.1740	2.339	3	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.7710	0.000	1	106.7710	0.000	1	108.9818	4.345	12	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCHH)	108.4995	3.791	2	108.4995	14.370	2	108.9818	4.345	12	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	109.3347	1.835	9	109.3347	3.369	9	108.9818	4.345	12	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	108.7930	0.000	1	108.7930	0.000	1	109.4130	0.769	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	110.0330	0.000	1	110.0330	0.000	1	109.4130	0.769	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.7560	0.000	1	109.7560	0.000	1	109.7215	0.002	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(SiC3)	109.6870	0.000	1	109.6870	0.000	1	109.7215	0.002	2	109.3044	3.915	38	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[3,6]C[6]H)(H)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8780	0.000	1	110.8780	0.000	1	109.8250	6.390	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2800	0.000	1	112.2800	0.000	1	109.8250	6.390	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	107.0210	0.000	1	107.0210	0.000	1	109.8250	6.390	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	O(C[6]C[6]2H)(H)	109.4730	3.212	2	109.4730	10.315	2	109.8250	6.390	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7390	0.000	1	109.7390	0.000	1	110.1440	0.328	2	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5490	0.000	1	110.5490	0.000	1	110.1440	0.328	2	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8535	0.298	2	110.8535	0.089	2	109.0667	9.623	3	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	105.4930	0.000	1	105.4930	0.000	1	109.0667	9.623	3	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.7720	0.000	1	111.6440	0.033	2	111.6440	0.033	2	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.5160	0.000	1	111.6440	0.033	2	111.6440	0.033	2	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0420	0.000	1	110.0420	0.000	1	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.6890	0.890	2	107.6890	0.791	2	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	106.4610	0.000	1	106.4610	0.000	1	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.3750	0.000	1	110.3750	0.000	1	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.6562	1.228	6	108.6562	1.508	6	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8210	0.000	1	110.8210	0.000	1	108.7512	2.225	12	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6]2H)(H)	107.5810	0.000	1	107.5810	0.000	1	108.2818	2.172	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	109.4710	1.888	2	108.6467	3.821	3	108.2818	2.172	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(H)	106.9980	0.000	1	108.6467	3.821	3	108.2818	2.172	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	107.8880	0.000	1	107.8880	0.000	1	108.2818	2.172	5	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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(C[6]C[6]2H)(H)	110.0890	0.000	1	110.0890	0.000	1	108.0755	2.017	8	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	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(C[6]C[6]2H)(H)	107.7879	1.257	7	107.7879	1.581	7	108.0755	2.017	8	108.9266	3.233	41	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	107.4500	0.652	2	107.4500	0.425	2	107.3910	0.471	6	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(CH3)	107.3615	0.800	4	107.3615	0.640	4	107.3910	0.471	6	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[6]C[6]2H)(SiC3)	111.1440	0.000	2	111.1440	0.000	2	111.1440	0.000	2	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	111.2680	0.000	1	111.2680	0.000	1	109.7735	7.164	6	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	113.7640	0.000	1	113.7640	0.000	1	109.7735	7.164	6	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	108.4023	1.839	4	108.4023	3.381	4	109.7735	7.164	6	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.9315	0.030	2	106.9315	0.001	2	106.9315	0.001	2	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	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(C[6]C[6]2H)(CC[6a]HH)	108.6285	0.493	2	108.6285	0.243	2	108.6285	0.243	2	108.8543	4.623	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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(C[6]C[6]2H)(CH3)	111.6000	0.000	1	111.6000	0.000	1	112.4635	1.491	2	112.4635	1.491	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:2:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	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(C[6]C[6]2H)(CH3)	113.3270	0.000	1	113.3270	0.000	1	112.4635	1.491	2	112.4635	1.491	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.1060	0.000	1	110.1060	0.000	1	110.6505	0.593	2	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.1950	0.000	1	111.1950	0.000	1	110.6505	0.593	2	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2770	0.000	1	112.2770	0.000	1	109.1277	7.585	3	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]2H)(H)	107.9360	0.000	1	107.9360	0.000	1	109.1277	7.585	3	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	107.1700	0.000	1	107.1700	0.000	1	109.1277	7.585	3	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.1690	0.000	1	113.1690	0.000	1	113.1690	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	105.1430	0.000	1	105.1430	0.000	1	105.1430	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	109.4042	5.458	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CHHO)	106.4060	0.000	1	106.4060	0.000	1	106.4060	0.000	1	106.9138	3.710	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCHH)	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	106.9138	3.710	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	O(C[6]C[6]2H)(CHHO)	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1	106.9138	3.710	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	O(C[6]C[6]2H)(SiC[6a]CO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(SiC[6a]CO)	109.8950	0.000	1	109.8950	0.000	1	108.6555	3.073	2	106.9138	3.710	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	107.4160	0.000	1	107.4160	0.000	1	108.6555	3.073	2	106.9138	3.710	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:3:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]C[6]2H)(H)	108.6280	0.000	1	108.6280	0.000	1	109.9530	3.511	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)2(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	111.2780	0.000	1	111.2780	0.000	1	109.9530	3.511	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.7300	0.000	1	109.7300	0.000	1	109.4995	0.106	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.2690	0.000	1	109.2690	0.000	1	109.4995	0.106	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	112.4190	0.057	2	112.4190	0.003	2	112.6680	0.214	7	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	112.4050	0.000	1	112.4050	0.000	1	112.6680	0.214	7	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	113.0837	0.408	3	113.0837	0.166	3	112.6680	0.214	7	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	112.1820	0.000	1	112.1820	0.000	1	112.6680	0.214	7	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	107.9810	0.000	1	107.9810	0.000	1	110.9527	1.882	8	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	110.2000	0.000	1	110.2000	0.000	1	110.9527	1.882	8	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6]2H)(H)	111.6445	0.032	2	111.3395	0.211	4	110.9527	1.882	8	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(H)	111.0345	0.510	2	111.3395	0.211	4	110.9527	1.882	8	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	O(C[6]C[6]2H)(H)	112.0415	0.414	2	112.0415	0.171	2	110.9527	1.882	8	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	110.0470	3.239	2	110.0470	10.488	2	111.1876	4.154	5	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	112.3790	0.822	2	112.3790	0.675	2	111.1876	4.154	5	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0860	0.000	1	111.0860	0.000	1	111.1876	4.154	5	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]2H)(H)	110.9415	0.682	2	110.9415	0.466	2	110.9415	0.466	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0860	0.246	2	111.0860	0.061	2	111.0860	0.061	2	111.2354	2.363	32	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	O(C[6]C[6]2H)(PC[6a]OO)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(PC[6a]OO)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	105.3150	0.000	1	105.3150	0.000	1	105.8390	1.946	3	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.1010	1.865	2	106.1010	3.480	2	105.8390	1.946	3	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	106.2970	0.000	1	106.9915	0.965	2	106.9915	0.965	2	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	107.6860	0.000	1	106.9915	0.965	2	106.9915	0.965	2	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	O(C[6]C[6]2H)(CHHO)	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	B[5]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	110.0035	0.810	4	110.0035	0.656	4	110.0035	0.656	4	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.4400	0.616	3	106.4400	0.380	3	106.4400	0.380	3	107.3954	4.098	14	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	108.1660	1.276	2	108.1660	1.627	2	108.5640	2.979	4	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	O(C[6]C[6]2H)(H)	108.9620	2.584	2	108.9620	6.676	2	108.5640	2.979	4	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2790	3.254	4	109.2790	10.588	4	109.2790	10.588	4	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(H)	106.6040	0.000	1	108.2813	2.474	3	108.2813	2.474	3	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]2H)(H)	109.7230	0.000	1	108.2813	2.474	3	108.2813	2.474	3	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6]2H)(H)	108.5170	0.000	1	108.2813	2.474	3	108.2813	2.474	3	108.9434	4.787	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:2:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:N[5]-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	103.8280	0.000	1	103.8280	0.000	1	103.8280	0.000	1	103.8280	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	110.5242	2.359	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8285	2.005	2	110.8285	4.019	2	110.8285	4.019	2	110.5242	2.359	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[6]C[6]2H)(H)	109.6630	1.584	2	109.6630	2.509	2	109.6630	2.509	2	110.5242	2.359	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	110.8748	4.722	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.8748	4.722	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	110.8748	4.722	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.1045	3.139	2	111.1045	9.852	2	111.1045	9.852	2	110.8748	4.722	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	108.2935	0.207	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	3:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.2935	0.207	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	108.1670	2.639	2	108.1670	6.964	2	108.1670	6.964	2	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.9977	0.954	3	109.9977	0.909	3	110.3538	1.114	4	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	O(C[6]C[5,6]C[6]H)(H)	111.4220	0.000	1	111.4220	0.000	1	110.3538	1.114	4	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1383	1.728	3	109.1383	2.987	3	109.1383	2.987	3	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	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(C[6]C[6]2H)(H)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9880	0.000	1	109.9880	0.000	1	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5085	0.862	2	110.5085	0.743	2	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8225	1.111	2	110.8225	1.234	2	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	113.9090	0.000	1	113.9090	0.000	1	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8830	0.000	1	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5320	0.000	1	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.4465	1.136	4	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.2190	0.000	1	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.9310	1.979	8	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	108.5518	1.562	17	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.2780	0.034	2	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0338	0.565	5	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	111.7340	0.000	1	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.0065	0.213	2	108.8029	2.525	42	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5330	0.000	1	109.5330	0.000	1	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.5970	1.679	2	107.5970	2.818	2	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.2140	0.000	1	108.7945	13.318	2	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	111.3750	0.000	1	108.7945	13.318	2	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1472	2.356	4	109.7955	4.011	10	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5610	1.930	6	109.7955	4.011	10	109.1516	3.303	63	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	111.2140	0.000	1	111.2140	0.000	1	110.9004	2.958	9	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.1710	0.506	2	112.1710	0.256	2	110.9004	2.958	9	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	112.7175	0.831	2	110.4092	4.679	5	110.9004	2.958	9	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	108.8703	0.363	3	110.4092	4.679	5	110.9004	2.958	9	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]2H)(H)	110.5020	0.000	1	110.5020	0.000	1	110.9004	2.958	9	109.3520	3.517	85	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2{1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	107.2890	4.513	2	107.2890	20.365	2	107.2890	20.365	2	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1890	0.000	1	110.1890	0.000	1	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	108.0780	0.167	2	108.0780	0.028	2	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.8460	0.000	1	111.8460	0.000	1	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[6]2H)(CH3)	110.6035	2.370	2	110.6035	5.615	2	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC3)	106.8060	1.798	3	106.8060	3.232	3	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCCH)	108.0550	0.000	1	108.0550	0.000	1	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCCH)	104.1930	0.000	1	104.1930	0.000	1	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	108.4480	0.000	1	108.4480	0.000	1	108.3760	5.685	12	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.2720	0.571	2	106.2720	0.326	2	107.2193	2.856	3	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)2	109.1140	0.000	1	109.1140	0.000	1	107.2193	2.856	3	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	105.8780	0.000	1	106.7053	1.027	3	106.7053	1.027	3	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	107.1190	1.014	2	106.7053	1.027	3	106.7053	1.027	3	107.8432	5.249	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.9050	0.000	1	111.8200	0.014	2	110.8119	2.383	8	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.7350	0.000	1	111.8200	0.014	2	110.8119	2.383	8	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.5210	1.964	3	110.5210	3.859	3	110.8119	2.383	8	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.0685	1.945	2	111.0685	3.784	2	110.8119	2.383	8	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.1550	0.000	1	109.1550	0.000	1	110.8119	2.383	8	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.7580	3.085	3	108.7580	9.518	3	108.7580	9.518	3	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.4540	0.216	2	106.4540	0.047	2	106.4540	0.047	2	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.2910	0.000	1	108.2910	0.000	1	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0600	0.000	1	111.0600	0.000	1	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	109.5500	0.313	3	109.5500	0.098	3	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	110.1460	0.570	2	110.1460	0.325	2	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1470	0.000	1	110.1580	0.000	2	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1690	0.000	1	110.1580	0.000	2	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	105.0870	0.000	1	105.0870	0.000	1	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4410	0.000	1	110.4410	0.000	1	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.4850	0.000	1	109.4578	5.824	6	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3635	0.999	2	109.4578	5.824	6	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5117	1.592	3	109.4578	5.824	6	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.7090	0.000	1	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6190	1.288	2	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5943	1.699	10	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0702	1.694	45	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1220	0.000	1	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2230	0.000	1	110.0899	2.800	60	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1860	0.000	1	110.1860	0.000	1	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9490	0.000	1	109.9883	2.719	13	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.5210	0.000	1	109.9883	2.719	13	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3260	0.000	1	109.9883	2.719	13	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3491	1.817	7	109.9883	2.719	13	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5360	1.126	3	109.9883	2.719	13	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8460	1.063	2	109.9924	2.885	109	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2630	0.420	2	109.9924	2.885	109	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.2665	1.078	2	109.9924	2.885	109	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0429	1.697	103	109.9924	2.885	109	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9350	0.000	1	109.2456	4.116	51	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	108.1250	0.000	1	109.2456	4.116	51	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3170	0.000	1	109.2456	4.116	51	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2323	2.078	48	109.2456	4.116	51	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7297	1.895	39	109.7297	3.590	39	109.8154	3.234	290	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	106.3750	0.000	1	106.3750	0.000	1	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3150	0.221	2	110.4960	1.850	4	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.6770	1.679	2	110.4960	1.850	4	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0700	0.000	1	110.0780	4.314	4	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4140	1.956	3	110.0780	4.314	4	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6644	1.960	5	110.6644	3.840	5	110.1424	3.840	14	109.8092	3.354	319	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.0595	5.207	4	111.0595	27.114	4	111.0426	20.337	5	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.9750	0.000	1	110.9750	0.000	1	111.0426	20.337	5	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	O(C[6]C[6]2H)(CH3)	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.2840	0.000	1	107.2840	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	110.9699	2.235	9	110.9699	4.994	9	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCCO)	112.0430	0.000	1	112.0430	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	113.1590	0.051	2	113.1590	0.003	2	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	112.2090	0.000	1	112.2090	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	109.9770	0.000	1	109.9770	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.4515	2.908	8	110.4515	8.457	8	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.3310	2.322	3	109.3310	5.392	3	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.9570	0.000	1	110.9570	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.2485	1.791	2	111.2485	3.208	2	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.4110	0.000	1	106.4110	0.000	1	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	116.1730	0.000	1	112.2686	6.784	22	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CH3)	107.5230	0.957	2	112.2686	6.784	22	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	112.5626	2.103	19	112.2686	6.784	22	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.2050	1.889	9	108.2050	3.567	9	110.8489	7.452	61	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.9165	0.859	2	108.7195	5.566	6	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.1210	1.083	4	108.7195	5.566	6	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.8180	0.000	1	106.8180	0.000	1	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	104.7265	0.459	2	104.4930	0.269	3	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	104.0260	0.000	1	104.4930	0.269	3	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.4420	4.142	2	106.4420	17.158	2	107.1248	7.508	12	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	107.0200	0.000	1	107.0200	0.000	1	106.5425	0.456	2	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	106.0650	0.000	1	106.0650	0.000	1	106.5425	0.456	2	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.2310	0.650	3	110.2310	0.422	3	110.2310	0.422	3	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.6665	2.983	2	111.6665	8.900	2	111.2287	5.025	3	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.3530	0.000	1	110.3530	0.000	1	111.2287	5.025	3	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	110.1187	9.224	90	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.7630	0.000	1	107.7630	0.000	1	109.3544	3.681	9	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	106.7690	0.000	1	106.7690	0.000	1	109.3544	3.681	9	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.3120	0.000	1	109.3120	0.000	1	109.3544	3.681	9	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5020	0.000	1	110.0577	3.452	6	109.3544	3.681	9	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.9688	2.063	5	110.0577	3.452	6	109.3544	3.681	9	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7780	0.000	1	109.7780	0.000	1	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	106.9360	0.000	1	106.9360	0.000	1	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5147	0.980	3	110.5147	0.960	3	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2160	0.000	1	110.2160	0.000	1	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.6083	0.040	3	107.6083	0.002	3	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H){1|C<4>,1|O<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6642	1.852	4	110.6642	3.431	4	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.1430	0.000	1	108.1430	0.000	1	109.4356	3.109	14	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(S[6]C[5,6])(CC[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7465	5.909	2	108.7465	34.920	2	109.0480	17.733	3	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(S[6]C[6])(COO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.6510	0.000	1	109.6510	0.000	1	109.0480	17.733	3	109.3616	4.065	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCHH)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.1130	0.000	1	109.1130	0.000	1	108.3425	1.187	2	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.5720	0.000	1	107.5720	0.000	1	108.3425	1.187	2	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	108.3230	0.617	2	108.3230	0.380	2	106.7473	3.589	4	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	105.1715	0.675	2	105.1715	0.456	2	106.7473	3.589	4	107.5696	2.486	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.5330	0.000	1	108.5330	0.000	1	108.5660	0.002	2	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	108.5990	0.000	1	108.5990	0.000	1	108.5660	0.002	2	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.9020	0.000	1	109.9020	0.000	1	107.7800	5.460	4	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6810	0.000	1	109.6810	0.000	1	107.7800	5.460	4	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	105.7685	0.414	2	105.7685	0.171	2	107.7800	5.460	4	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0490	0.000	1	112.0490	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3670	2.654	2	109.3670	7.046	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.3400	0.000	3	108.5830	2.292	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.3120	0.000	1	108.5830	2.292	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	106.8320	0.000	1	106.8320	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.3685	0.114	2	107.3685	0.013	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.6480	0.000	1	109.5015	2.606	11	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.4622	1.539	5	109.5015	2.606	11	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0045	0.312	2	109.5015	2.606	11	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8497	0.394	3	109.5015	2.606	11	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.8403	1.690	3	110.8403	2.856	3	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.0500	0.000	1	109.0500	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]2H)(H)	108.8760	0.000	1	108.8760	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0990	0.000	1	109.0990	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9070	0.488	2	111.9070	0.238	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.4160	0.000	1	111.0402	2.935	5	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1173	1.301	3	111.0402	2.935	5	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4330	0.000	1	111.0402	2.935	5	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4085	0.534	2	109.4085	0.285	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5495	0.047	2	109.5495	0.002	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5500	0.000	1	109.9732	2.531	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0670	0.000	1	109.9732	2.531	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1380	2.077	2	109.9732	2.531	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1180	0.000	1	110.0365	2.339	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9550	0.000	1	110.0365	2.339	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4430	0.000	1	109.4430	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.8880	0.000	1	110.8880	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.0885	0.144	2	109.3669	2.278	28	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.4094	1.595	25	109.3669	2.278	28	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.8600	0.000	1	109.3669	2.278	28	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	105.4860	0.000	1	108.5490	18.764	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.6120	0.000	1	108.5490	18.764	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.7050	0.007	2	107.7050	0.000	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.7040	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8675	0.678	2	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4580	1.075	2	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2259	1.295	11	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1580	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7280	2.103	2	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2970	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.8660	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	105.8090	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.3017	1.662	9	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2340	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0777	2.271	9	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.3305	2.026	157	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7255	1.081	2	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.1610	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8090	0.000	1	109.3286	3.853	202	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.3920	0.000	1	108.3920	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9875	1.167	2	107.3498	4.351	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.7120	0.980	2	107.3498	4.351	4	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.5020	0.000	1	111.5320	2.122	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.5620	0.000	1	111.5320	2.122	2	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.6830	0.000	1	112.6830	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]O[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5760	0.000	1	110.5760	0.000	1	109.3815	3.635	289	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.8345	1.747	2	111.8345	3.053	2	111.8345	3.053	2	109.3670	3.674	298	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(SiC3)	108.5507	0.447	3	108.5507	0.200	3	108.5507	0.200	3	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	107.7440	0.120	2	107.7440	0.014	2	107.7440	0.014	2	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	107.5800	0.000	1	107.5800	0.000	1	107.8257	3.567	3	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	106.0720	0.000	1	106.0720	0.000	1	107.8257	3.567	3	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	109.8250	0.000	1	109.8250	0.000	1	107.8257	3.567	3	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.1080	0.000	1	112.1080	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.9630	0.000	1	106.9630	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	107.8580	0.000	1	107.8580	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	112.1740	0.000	1	112.1740	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	109.3405	0.009	2	109.3405	0.000	2	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	105.7930	0.000	1	105.7930	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.0340	0.000	1	110.0340	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	107.9790	0.000	1	107.9790	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	105.5565	0.716	2	105.5565	0.513	2	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	108.0560	0.000	1	108.0560	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.4730	0.000	1	106.4730	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	105.8780	0.000	1	105.8780	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.2440	0.000	1	108.2440	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.3120	0.000	1	108.3120	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.7860	0.000	1	110.7860	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.1940	0.182	2	108.0502	0.827	5	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.8770	0.000	1	108.0502	0.827	5	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.9930	0.021	2	108.0502	0.827	5	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	106.8766	0.812	7	106.8766	0.660	7	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.7900	0.000	1	107.7900	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[5a]HH)	109.9502	1.519	6	109.9502	2.308	6	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	103.3470	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.8580	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8530	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.8880	0.147	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.5230	0.007	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	105.7335	1.661	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.2765	1.138	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.0270	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.0230	2.442	3	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8370	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.8188	1.267	5	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.1190	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.4430	1.196	4	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1625	1.709	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.3420	0.000	1	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.6110	0.543	2	107.6680	4.094	31	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.6700	0.000	1	108.2098	0.783	5	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	107.8448	0.394	4	108.2098	0.783	5	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCHH)	107.4880	0.000	1	107.4880	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	109.4760	0.000	1	109.4760	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.0840	0.000	1	104.0510	6.948	3	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	102.5345	0.312	2	104.0510	6.948	3	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	108.9400	0.000	1	108.9400	0.000	1	107.8608	4.127	78	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)2	110.3550	0.000	1	110.3550	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.0630	0.000	1	109.0630	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)2	111.1790	0.000	1	111.1790	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.3480	0.000	1	106.3480	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)2	110.8470	0.000	1	110.8470	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.1760	0.000	1	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.3061	0.807	12	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.1400	0.000	1	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.1180	0.000	1	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.0850	0.000	1	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.3357	2.343	78	109.2274	4.945	94	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.8100	0.000	1	111.8100	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)2	112.0670	0.000	1	112.0670	0.000	1	109.2975	4.901	101	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(SC3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC3)	107.0880	0.225	2	107.0880	0.051	2	107.2775	0.717	4	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SCOO)	107.4670	1.399	2	107.4670	1.956	2	107.2775	0.717	4	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.0830	0.000	1	108.9190	0.054	2	108.5923	1.306	6	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.7550	0.000	1	108.9190	0.054	2	108.5923	1.306	6	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.6650	0.000	1	109.6650	0.000	1	108.5923	1.306	6	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	108.0170	1.435	3	108.0170	2.060	3	108.5923	1.306	6	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:P-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SCOO)	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	108.6067	4.694	199	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1325	0.672	4	109.1325	0.452	4	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.6488	2.071	4	109.6488	4.291	4	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2040	0.549	2	108.2040	0.301	2	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9020	1.164	6	109.9020	1.355	6	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2960	0.000	1	111.2960	0.000	1	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9150	0.000	1	109.9150	0.000	1	109.5642	1.740	18	109.6595	1.816	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-2:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[6]C[6]2H)(H)	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8740	0.000	1	110.8740	0.000	1	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.5240	0.000	1	107.5240	0.000	1	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	O(C[6]C[6]2H)(H)	110.3540	0.000	1	110.3540	0.000	1	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.8543	0.497	12	110.8543	0.247	12	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4140	0.000	1	109.1340	5.917	2	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.8540	0.000	1	109.1340	5.917	2	110.4278	1.425	17	110.4278	1.425	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	112.3280	0.000	1	112.3280	0.000	1	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC3)	109.0180	0.000	1	109.0525	0.002	2	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC3)	109.0870	0.000	1	109.0525	0.002	2	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	O(C[6]C[6]2H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5]CH)	112.4170	0.000	1	112.4170	0.000	1	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	O(C[6]C[6]2H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5]CH)	112.5380	0.014	2	112.5380	0.000	2	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	107.3740	0.000	1	107.3740	0.000	1	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC3)	110.0220	0.516	3	110.0220	0.266	3	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCCH)	112.9000	0.000	1	112.9000	0.000	1	110.7515	3.557	11	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)2	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	107.6350	0.000	2	107.5370	0.013	4	107.5370	0.013	4	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:2:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	107.4390	0.000	2	107.5370	0.013	4	107.5370	0.013	4	110.0307	4.693	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[3,6]C[6]H)(H)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[3,6]C[6]H)(H)	112.6420	0.198	2	112.6420	0.039	2	112.6420	0.039	2	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H){2|C<3>,2|O<2>}	O(C[6]C[3x6]C[6]H)(H)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.8050	0.000	1	107.8050	0.000	1	109.7230	8.560	4	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.6140	0.000	1	110.6140	0.000	1	109.7230	8.560	4	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	113.4520	0.000	1	113.4520	0.000	1	109.7230	8.560	4	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	107.0210	0.000	1	107.0210	0.000	1	109.7230	8.560	4	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.7045	0.060	2	109.7045	0.004	2	109.3127	8.103	6	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.9260	0.000	1	107.5930	6.094	3	109.3127	8.103	6	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4290	0.000	1	107.5930	6.094	3	109.3127	8.103	6	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.4240	0.000	1	107.5930	6.094	3	109.3127	8.103	6	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	113.6880	0.000	1	113.6880	0.000	1	109.3127	8.103	6	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.8330	1.420	2	109.8330	2.016	2	108.2185	3.559	8	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8337	0.900	3	107.6766	3.986	5	108.2185	3.559	8	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.4040	0.000	1	107.6766	3.986	5	108.2185	3.559	8	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.4780	0.000	1	107.6766	3.986	5	108.2185	3.559	8	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	107.6990	0.000	1	107.6990	0.000	1	108.2185	3.559	8	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0950	0.000	1	109.0950	0.000	1	109.0950	0.000	1	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	109.8897	1.524	4	109.8897	2.322	4	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	111.0370	0.000	1	111.0370	0.000	1	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5760	0.000	1	111.5760	0.000	1	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.1550	0.000	1	112.1550	0.000	1	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7120	0.000	1	108.9825	0.750	4	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2460	0.000	2	108.9825	0.750	4	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.7260	0.000	1	108.9825	0.750	4	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7441	1.921	9	108.6158	3.444	10	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	107.4610	0.000	1	108.6158	3.444	10	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7580	0.376	4	110.7580	0.141	4	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.4950	0.000	1	111.1870	0.190	2	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8790	0.000	1	111.1870	0.190	2	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2990	0.000	2	110.2984	0.684	8	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9648	0.651	6	110.2984	0.684	8	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7860	0.000	2	110.7860	0.000	2	109.8859	2.326	37	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	112.2720	0.115	2	112.2720	0.013	2	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4120	0.000	1	110.4120	0.000	1	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.0560	0.000	1	112.0560	0.000	1	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8825	0.305	2	110.0693	2.030	3	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.4430	0.000	1	110.0693	2.030	3	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.0705	2.051	2	110.0705	4.208	2	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	106.7320	1.249	2	108.2263	2.780	6	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9735	1.371	4	108.2263	2.780	6	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0130	3.045	2	110.0130	9.271	2	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9860	0.000	1	110.9860	0.000	1	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]HH)2(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7183	2.144	37	109.7183	4.595	37	109.7693	4.287	55	109.7521	3.913	117	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2	O(C[6]C[3x6]C[6]H)(CH3)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2{2|C<3>,2|O<2>}	O(C[6]C[3x6]C[6]H)(CH3)	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	104.1790	0.000	1	104.1790	0.000	1	104.1790	0.000	1	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	107.5150	0.000	1	107.5150	0.000	1	110.4463	7.271	3	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	111.0030	0.000	1	111.0030	0.000	1	110.4463	7.271	3	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	112.8210	0.000	1	112.8210	0.000	1	110.4463	7.271	3	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.4790	0.000	1	110.4790	0.000	1	110.1183	0.443	4	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.6550	0.000	1	110.6550	0.000	1	110.1183	0.443	4	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.6695	0.713	2	109.6695	0.509	2	110.1183	0.443	4	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	104.5259	0.901	61	104.5091	0.816	62	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	103.4850	0.000	1	104.5091	0.816	62	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	113.1090	0.000	1	110.6448	2.783	4	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	109.6230	0.112	2	110.6448	2.783	4	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	110.2240	0.000	1	110.6448	2.783	4	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.8190	0.000	1	110.8190	0.000	1	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	111.4180	0.000	1	111.4180	0.000	1	105.0644	4.109	68	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Br-1:Br-1:	C[6]-4:C-4:	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2{2|Br<1>,1|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	107.7530	0.585	2	107.7530	0.343	2	107.7530	0.343	2	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	O(C[6]C[6]2H)(SClOO)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SClOO)	102.4950	0.000	1	102.4950	0.000	1	102.4950	0.000	1	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.3860	0.000	1	108.3860	0.000	1	107.1610	3.001	2	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	105.9360	0.000	1	105.9360	0.000	1	107.1610	3.001	2	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	108.4665	1.356	2	108.2390	1.074	3	108.2390	1.074	3	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	107.7840	0.000	1	108.2390	1.074	3	108.2390	1.074	3	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	109.9020	0.000	1	109.8410	0.007	2	109.4640	0.735	6	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.7800	0.000	1	109.8410	0.007	2	109.4640	0.735	6	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.3910	0.000	1	108.3910	0.000	1	109.4640	0.735	6	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.9720	0.219	2	109.5703	1.098	3	109.4640	0.735	6	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.7670	0.000	1	109.5703	1.098	3	109.4640	0.735	6	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CF3)	106.6105	1.026	2	106.6105	1.053	2	106.6105	1.053	2	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2O)(SiC3)	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	106.0490	6.765	95	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	112.8060	1.106	2	112.8060	1.223	2	112.8060	1.223	2	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.3095	0.028	2	111.3095	0.001	2	110.5920	2.357	6	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.2135	1.903	2	110.2135	3.621	2	110.5920	2.357	6	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	108.4340	0.000	1	110.2530	6.618	2	110.5920	2.357	6	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.0720	0.000	1	110.2530	6.618	2	110.5920	2.357	6	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.2150	0.000	1	108.2150	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.1470	0.000	1	110.1470	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.9960	0.000	1	108.9960	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8510	0.000	1	108.8510	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.3860	0.000	1	110.3860	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.7000	0.000	1	108.7000	0.000	1	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.5380	2.838	2	109.5380	8.056	2	109.2964	1.700	8	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.6006	1.636	5	108.6006	2.675	5	108.6006	2.675	5	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.6320	0.000	1	112.4990	0.035	2	112.4990	0.035	2	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.3660	0.000	1	112.4990	0.035	2	112.4990	0.035	2	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.7950	0.000	1	111.7950	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2560	0.542	2	110.2560	0.293	2	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	113.3270	0.000	1	111.2440	4.190	3	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.1700	0.000	1	111.2440	4.190	3	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.2350	0.000	1	111.2440	4.190	3	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.6620	0.000	1	111.6620	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.6640	0.765	2	108.6640	0.585	2	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.9970	0.000	1	106.9970	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7080	0.000	1	108.7080	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6270	0.000	1	111.6270	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9260	0.000	1	110.9260	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9980	0.000	1	110.9980	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4600	0.102	2	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	112.6830	0.000	1	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.2370	0.000	1	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8940	0.000	1	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7330	0.119	2	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	112.6000	0.000	1	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4770	0.000	1	110.1419	4.271	9	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.0460	0.000	1	110.0508	1.567	6	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.4660	0.966	2	110.0508	1.567	6	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5330	0.437	2	110.0508	1.567	6	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.2610	0.000	1	110.0508	1.567	6	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.9470	0.000	1	105.9470	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4740	0.000	1	110.1895	1.024	2	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9050	0.000	1	110.1895	1.024	2	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.1980	2.831	2	109.1980	8.016	2	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1550	0.000	1	110.1166	0.204	7	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.1102	0.494	6	110.1166	0.204	7	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8490	0.000	1	109.8490	0.000	1	110.0299	2.661	42	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3170	1.874	2	109.3170	3.511	2	109.3170	3.511	2	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	110.0696	2.972	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	104.1395	0.589	2	104.1395	0.347	2	104.1395	0.347	2	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.4010	0.000	1	110.4010	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CH3)	111.9250	0.000	1	111.9250	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CHHO)	109.5310	0.694	4	109.5310	0.481	4	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.8020	0.000	1	112.8020	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	113.0210	0.000	1	113.0210	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.0510	0.000	1	108.0510	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1880	0.000	1	110.1880	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.0930	0.133	2	108.4898	0.309	4	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.8865	0.530	2	108.4898	0.309	4	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	111.7890	0.000	1	111.7890	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.3750	0.000	1	107.3750	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	107.4990	0.000	1	107.4990	0.000	1	109.7138	3.250	17	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.4310	0.000	1	105.4310	0.000	1	105.4310	0.000	1	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.1754	6.782	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	108.9589	2.785	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.3490	0.000	1	110.3490	0.000	1	108.8373	1.997	3	108.9589	2.785	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.0815	0.753	2	108.0815	0.567	2	108.8373	1.997	3	108.9589	2.785	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	108.9589	2.785	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7105	0.180	2	110.7105	0.033	2	110.7105	0.033	2	108.9589	2.785	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.0890	0.000	1	107.0890	0.000	1	109.7310	13.960	2	108.8330	9.399	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.3730	0.000	1	112.3730	0.000	1	109.7310	13.960	2	108.8330	9.399	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	108.8330	9.399	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:3:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:H-1:	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2{1|C<3>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	112.1080	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.7807	1.544	3	110.7807	2.384	3	110.7807	2.384	3	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.4980	0.000	1	108.4980	0.000	1	110.3303	2.613	3	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	111.2465	0.435	2	111.2465	0.189	2	110.3303	2.613	3	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5000	0.000	1	111.5000	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.9715	0.443	4	107.9715	0.197	4	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5080	0.000	1	109.5080	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3560	0.000	1	110.3560	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2450	0.000	1	109.2450	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.2870	0.499	2	107.2870	0.249	2	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.9380	0.000	1	106.6030	2.633	7	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	106.5472	1.770	6	106.6030	2.633	7	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6150	0.000	1	108.6150	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7680	0.000	1	109.7680	0.000	1	107.9828	3.136	19	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.3730	0.000	1	107.3730	0.000	1	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.7150	0.000	1	108.1510	0.380	2	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.5870	0.000	1	108.1510	0.380	2	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.5885	0.289	2	106.5885	0.084	2	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5380	0.000	1	111.5380	0.000	1	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.0180	0.000	1	108.0180	0.000	1	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.4650	0.000	1	108.4650	0.000	1	108.1091	2.504	8	108.5034	3.690	36	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	106.7100	0.253	2	106.7100	0.064	2	106.7100	0.064	2	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Si-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O(C[6]C[6]2H)(SiC3)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.4030	0.000	1	112.4030	0.000	1	107.7638	5.291	8	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.1500	1.683	2	107.2448	3.001	5	107.7638	5.291	8	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.9747	1.609	3	107.2448	3.001	5	107.7638	5.291	8	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	O(C[6]C[6]2H)(CH3)	106.7415	0.267	2	106.7415	0.071	2	107.7638	5.291	8	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	109.3160	0.000	1	109.3160	0.000	1	108.4380	1.542	2	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	107.5600	0.000	1	107.5600	0.000	1	108.4380	1.542	2	108.0549	3.738	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.1090	2.513	3	110.1090	6.316	3	110.3143	4.379	4	110.2202	2.734	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.9300	0.000	1	110.9300	0.000	1	110.3143	4.379	4	110.2202	2.734	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7670	0.665	2	109.7670	0.442	2	110.5320	1.977	3	110.2202	2.734	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	112.0620	0.000	1	112.0620	0.000	1	110.5320	1.977	3	110.2202	2.734	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	110.2202	2.734	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	109.9430	0.000	1	109.9430	0.000	1	110.5447	2.667	8	110.5261	2.337	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.8450	0.000	1	110.9212	3.982	5	110.5447	2.667	8	110.5261	2.337	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4402	1.941	4	110.9212	3.982	5	110.5447	2.667	8	110.5261	2.337	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.9045	0.923	2	109.9045	0.852	2	110.5447	2.667	8	110.5261	2.337	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.5261	2.337	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[3,5,6]C[6]H)(H)	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[3,6,6]C[6]H)(H)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	112.2295	1.343	2	112.2295	1.803	2	112.2295	1.803	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(H)	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	109.6135	0.046	2	109.6135	0.002	2	109.6135	0.002	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	109.9370	0.000	1	109.9370	0.000	1	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	111.3635	1.240	2	111.3635	1.537	2	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[3,6]C[6]H)(H)	111.8450	0.000	1	111.8450	0.000	1	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]H)(H)	112.3750	0.000	1	112.3750	0.000	1	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	107.8590	0.000	1	108.5885	1.064	2	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	109.3180	0.000	1	108.5885	1.064	2	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(H)	109.3095	2.307	2	108.3037	5.697	3	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]H)(H)	106.2920	0.000	1	108.3037	5.697	3	109.8972	4.364	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(H)	107.8840	1.792	2	107.8840	3.211	2	107.8840	3.211	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[3x6]C[6]H)(H)	108.7410	0.000	1	108.7410	0.000	1	110.3630	5.262	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3x6]C[6]H)(H)	111.9850	0.000	1	111.9850	0.000	1	110.3630	5.262	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4,6,6]C[6]H)(H)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[4,6,6]C[6]H)(H)	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	114.1980	0.000	1	114.1980	0.000	1	110.8044	7.866	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	112.5370	0.257	2	112.5370	0.066	2	110.8044	7.866	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	O(C[6]C[4,6]C[6]H)(H)	109.9540	0.000	1	109.9540	0.000	1	110.8044	7.866	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	O(C[6]C[4,6]C[6]H)(H)	108.8017	2.903	3	108.8017	8.426	3	110.8044	7.866	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	O(C[6]C[4x6]C[6]H)(H)	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[4x6]C[6]H)(H)	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[4x6]C[6]H)(H)	108.4554	1.919	10	108.4005	3.347	11	108.4005	3.347	11	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[4x6]C[6]H)(H)	107.8520	0.000	1	108.4005	3.347	11	108.4005	3.347	11	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[5,3x6]C[6]H)(H)	110.5805	2.874	2	110.5805	8.262	2	110.5805	8.262	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	O(C[6]C[5,3x6]C[6]H)(H)	111.5335	1.500	2	111.5335	2.249	2	110.7644	4.903	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(H)	110.2517	2.774	3	110.2517	7.696	3	110.7644	4.903	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,5,3x6]C[6]H)(H)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,5,3x6]C[6]H)(H)	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,5,6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	106.4580	0.000	1	106.4580	0.000	1	106.4580	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	112.8910	0.000	1	112.8910	0.000	1	110.4648	8.117	4	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	108.0200	0.666	2	108.0200	0.444	2	110.4648	8.117	4	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[6]C[5,5,6,6]C[6]H)(H)	112.9280	0.000	1	112.9280	0.000	1	110.4648	8.117	4	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,5,6]C[6]H)(H)	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,5,6]C[6]H)(H)	109.4110	2.455	2	109.4110	6.027	2	109.4110	6.027	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	110.1368	1.632	4	110.1368	2.664	4	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	111.8115	0.151	2	111.8115	0.023	2	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	107.8250	0.000	1	107.8250	0.000	1	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	111.8540	0.000	1	109.8588	3.013	5	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	109.7990	2.131	2	109.8588	3.013	5	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	109.8600	0.000	1	109.8588	3.013	5	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	107.9820	0.000	1	109.8588	3.013	5	110.1074	2.854	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	110.3820	0.173	2	110.3820	0.030	2	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.4265	0.397	2	111.4265	0.157	2	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]SiH)(H)2{5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	110.0960	0.000	2	110.0960	0.000	2	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	106.1610	0.000	1	106.1610	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6,6]C[6]H)(H)	110.4550	0.000	1	110.4550	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	112.7300	0.000	1	112.7300	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	108.5460	0.000	1	108.5460	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	113.5790	0.000	1	113.5790	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	108.4590	0.000	1	108.4590	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	110.5440	0.000	1	110.5440	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	108.6540	0.000	1	108.6540	0.000	1	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	109.4120	0.666	2	109.4120	0.444	2	110.1101	3.154	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.3400	0.000	1	109.3400	0.000	1	111.2475	7.277	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.1550	0.000	1	113.1550	0.000	1	111.2475	7.277	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.1020	0.000	1	109.1020	0.000	1	111.4797	4.447	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.6685	0.643	2	112.6685	0.413	2	111.4797	4.447	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.3148	2.424	4	107.3148	5.877	4	108.5154	5.961	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	109.5925	1.742	2	109.5925	3.033	2	108.5154	5.961	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.1640	0.000	1	111.1640	0.000	1	108.5154	5.961	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.6300	0.000	1	107.6300	0.000	1	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.7445	3.229	2	107.7445	10.429	2	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.8920	0.000	1	109.1270	3.018	3	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.4190	0.000	1	109.1270	3.018	3	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.0700	0.000	1	109.1270	3.018	3	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.0270	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.3270	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.7645	0.260	2	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	105.4120	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.8650	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.4400	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.1420	0.000	1	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.5830	2.032	3	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.0816	1.730	112	108.9563	3.268	123	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.4618	0.914	17	106.4618	0.835	17	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.8480	0.000	1	111.8480	0.000	1	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0547	1.715	16	110.0547	2.941	16	108.8018	3.747	163	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(Br)(H){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)2(Cl)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)2(Cl)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.1295	0.011	2	110.1295	0.000	2	110.1295	0.000	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	108.6295	0.407	2	108.6295	0.165	2	108.6295	0.165	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.3083	2.473	3	111.3083	6.117	3	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.2410	0.000	1	111.2410	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.3270	0.000	1	109.2858	5.524	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.8320	0.000	1	109.2858	5.524	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.4920	1.987	2	109.2858	5.524	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.2170	0.058	2	112.2170	0.003	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.1950	0.000	1	108.1950	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.5370	0.000	1	111.5370	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.7383	2.593	3	108.7383	6.721	3	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.4100	0.000	1	107.4100	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.9085	3.361	2	109.9085	11.296	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.9145	1.883	2	109.9145	3.546	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	105.7380	0.000	1	105.7380	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.7645	0.545	2	107.7645	0.297	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.9710	0.000	1	107.9710	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.9100	0.000	1	108.9100	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(H)	109.7705	2.099	4	109.7705	4.405	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.8000	0.000	1	108.7305	0.010	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.6610	0.000	1	108.7305	0.010	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.1890	0.000	1	110.1890	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.6740	0.000	1	107.6740	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.0517	1.804	4	112.0517	3.253	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.4385	0.508	2	108.4385	0.258	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.3980	0.000	1	109.3980	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	O(C[6]C[5,6]C[6]H)(H)	111.8800	0.000	1	111.8800	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.4600	0.000	1	106.4600	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.6130	0.000	1	107.5270	0.015	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.4410	0.000	1	107.5270	0.015	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.8440	0.000	1	109.1720	14.279	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.5000	0.000	1	109.1720	14.279	2	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	108.7300	0.000	1	108.7300	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	111.6043	2.332	3	112.1128	6.026	6	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	112.4980	4.196	2	112.1128	6.026	6	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.8680	0.000	1	112.1128	6.026	6	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	O(C[6]C[5,6]C[6]H)(H)	110.7220	0.000	1	110.7220	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.4120	0.000	1	108.4120	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.9650	0.000	1	107.9650	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.9500	0.000	1	110.9500	0.000	1	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(H)	107.2680	0.000	1	108.8543	2.815	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.4620	0.000	2	108.8543	2.815	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(H)	111.2250	0.000	1	108.8543	2.815	4	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	107.2713	0.955	3	107.2713	0.912	3	109.6126	5.072	64	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.0160	0.898	2	111.3414	0.583	5	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.2200	0.697	2	111.3414	0.583	5	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.2350	0.000	1	111.3414	0.583	5	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4610	0.000	1	109.8948	1.460	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6635	0.281	2	109.8948	1.460	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.3270	0.000	1	109.8948	1.460	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.6270	0.218	2	109.8948	1.460	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.7340	0.258	4	108.7340	0.067	4	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.6660	0.000	1	111.9730	0.960	2	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.2800	0.000	1	111.9730	0.960	2	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.9070	0.000	1	110.9853	3.069	7	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.4983	1.213	6	110.9853	3.069	7	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.8940	0.000	1	112.8940	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.2996	1.353	5	112.3493	1.479	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.5980	0.000	1	112.3493	1.479	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.0380	0.000	1	113.0380	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	105.0920	0.000	1	106.7230	5.320	2	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.3540	0.000	1	106.7230	5.320	2	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.6675	0.267	4	111.6675	0.071	4	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.5830	0.000	1	111.5830	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5332	2.011	4	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.7760	0.406	2	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.0210	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	105.4400	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.9710	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.4510	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.5280	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.4310	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.7930	0.000	1	109.9477	5.829	13	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.1350	0.000	1	109.1350	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.2010	0.000	1	107.2010	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.6865	2.159	2	108.6865	4.660	2	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.5600	0.000	1	112.5600	0.000	1	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6260	0.000	1	109.9155	2.771	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.4523	0.034	3	109.9155	2.771	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.0370	0.000	1	109.9155	2.771	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4730	0.000	1	109.9155	2.771	6	110.4550	4.066	63	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.4583	1.354	3	109.7193	1.494	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5020	0.000	1	109.7193	1.494	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.6880	0.000	1	111.6880	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.2910	0.000	1	107.2910	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	114.4430	0.000	1	110.6065	5.308	94	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.1870	0.000	1	110.6065	5.308	94	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5368	2.277	92	110.6065	5.308	94	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.9740	0.000	1	107.9740	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	107.4610	0.000	1	107.4610	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.1920	0.000	1	113.1920	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.4485	2.504	2	106.4485	6.269	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.8290	0.000	1	112.8290	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.0580	0.272	2	110.0580	0.074	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.6052	1.238	4	107.6052	1.533	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.4510	0.000	1	107.8432	0.584	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.9740	0.879	3	107.8432	0.584	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.0230	0.000	1	111.1475	9.027	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.2720	0.000	1	111.1475	9.027	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8190	0.000	1	108.8190	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.9820	0.000	1	110.9820	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.2160	2.921	4	109.2160	8.535	4	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.0990	0.000	1	107.0990	0.000	1	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.9600	0.000	1	105.8555	1.604	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.7510	0.000	1	105.8555	1.604	2	110.1488	5.834	127	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	113.9030	0.000	1	113.9030	0.000	1	113.9030	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.6835	0.764	2	107.6835	0.584	2	107.6835	0.584	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5660	0.000	1	110.5660	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.3120	0.000	1	106.3120	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.9440	0.000	1	108.9440	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.3520	0.000	1	106.3520	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.3620	0.000	1	109.3620	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.9500	0.000	1	111.9500	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	113.4350	0.000	1	113.4350	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.2460	0.000	1	109.2460	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.2550	4.615	2	108.2550	21.294	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.2545	1.815	2	108.4972	1.332	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.7400	0.682	2	108.4972	1.332	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.0168	1.118	5	109.8183	2.017	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.1130	0.000	1	109.8183	2.017	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.5310	0.000	1	109.8183	2.017	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.7970	0.000	1	112.7970	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.3870	0.000	1	109.1423	0.130	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.0200	0.412	2	109.1423	0.130	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.6395	0.163	2	106.6395	0.027	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.0760	0.000	1	111.2092	2.240	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.0530	0.602	2	111.2092	2.240	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6550	0.000	1	111.2092	2.240	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.2760	0.000	1	107.2760	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.5280	0.000	1	106.5280	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.8655	1.358	2	111.8655	1.845	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.5260	0.000	1	108.2705	10.175	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.0150	0.000	1	108.2705	10.175	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	108.2850	0.000	1	108.2850	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]C[6]H)(H)	112.0685	0.716	2	112.0685	0.513	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.6630	0.000	1	109.1256	2.579	9	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2395	0.195	4	109.1256	2.579	9	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.7650	0.000	1	109.1256	2.579	9	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2640	0.000	1	109.1256	2.579	9	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.2400	0.823	2	109.1256	2.579	9	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.4010	0.000	1	106.4010	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.4280	0.000	1	108.4280	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.1880	0.000	1	109.1880	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.0630	0.000	1	111.0630	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	105.2810	0.000	1	105.2810	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.6030	0.000	1	106.6030	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.7210	1.088	3	108.1587	8.554	6	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.9620	0.000	1	108.1587	8.554	6	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.1160	0.000	1	108.1587	8.554	6	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.7110	0.000	1	108.1587	8.554	6	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.8480	0.000	1	109.1118	2.339	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.3620	0.000	1	109.1118	2.339	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.3990	0.000	1	109.1118	2.339	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.8380	0.000	1	109.1118	2.339	4	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.4310	0.000	1	110.1044	1.214	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6760	0.860	5	110.1044	1.214	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.9200	0.000	1	110.1044	1.214	7	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.3085	2.029	2	110.3085	4.116	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	106.5380	0.000	1	106.5380	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.0040	0.000	1	110.4240	5.734	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.6340	2.779	2	110.4240	5.734	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.6020	0.000	1	108.6020	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.2520	0.000	1	109.2520	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.6280	0.979	2	110.5557	3.929	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.4110	0.000	1	110.5557	3.929	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.0610	0.000	1	108.0610	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.1330	0.000	1	108.1330	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.5400	0.000	1	108.5400	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.5087	0.178	3	107.5087	0.032	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7320	0.000	1	110.7320	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.0755	4.447	2	109.0755	19.776	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.5790	0.000	1	112.5790	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.8500	0.000	1	107.8500	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1290	0.000	1	107.1290	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4820	0.000	1	111.4820	0.000	1	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.0390	0.000	1	108.4615	0.667	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.8840	0.000	1	108.4615	0.667	2	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.6180	0.000	1	111.6420	1.297	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.1540	1.079	2	111.6420	1.297	3	109.3112	4.383	101	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.7370	0.000	1	110.7370	0.000	1	108.9405	6.455	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.1440	0.000	1	107.1440	0.000	1	108.9405	6.455	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	112.0070	0.000	1	112.0070	0.000	1	110.1603	6.435	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	109.2370	2.785	2	109.2370	7.754	2	110.1603	6.435	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.8690	2.920	3	108.9740	5.727	4	108.9740	5.727	4	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2890	0.000	1	108.9740	5.727	4	108.9740	5.727	4	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	108.7852	2.035	5	108.7852	4.143	5	108.7852	4.143	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9220	0.000	1	109.9220	0.000	1	110.0750	0.047	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	110.2280	0.000	1	110.2280	0.000	1	110.0750	0.047	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6]2H)(H)	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	O(C[6]C[6]2H)(H)	109.2150	0.000	1	109.2150	0.000	1	110.2025	1.950	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	111.1900	0.000	1	111.1900	0.000	1	110.2025	1.950	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	108.9080	0.000	1	108.9080	0.000	1	109.9543	4.395	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(H)2{1|Si<4>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	112.3680	0.000	1	112.3680	0.000	1	109.9543	4.395	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	108.5870	0.000	1	108.5870	0.000	1	109.9543	4.395	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]FH)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.7973	0.857	8	111.7973	0.734	8	111.5406	0.979	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]FH)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.2840	1.102	8	111.2840	1.213	8	111.5406	0.979	16	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6]2H)(H)	109.7160	0.000	1	109.7160	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.7000	0.000	1	108.9202	10.411	4	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.3270	0.621	3	108.9202	10.411	4	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	112.4340	0.000	1	112.4340	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7220	3.121	2	108.1777	6.573	6	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.9055	2.722	4	108.1777	6.573	6	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	O(C[6]C[6]2H)(H)	110.4935	0.272	2	110.4935	0.074	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6550	0.000	1	110.8260	1.374	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.9970	0.000	1	110.8260	1.374	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	113.9890	0.000	1	113.9890	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9610	0.170	2	111.2468	0.727	4	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.5325	0.334	2	111.2468	0.727	4	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2745	1.975	4	108.8448	3.849	5	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.1260	0.000	1	108.8448	3.849	5	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	110.0045	1.148	2	110.0045	1.317	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	113.2940	0.035	2	113.2940	0.001	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.7720	0.000	1	109.0563	4.573	3	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.8720	0.000	1	109.0563	4.573	3	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.5250	0.000	1	109.0563	4.573	3	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	113.0940	0.000	1	113.0940	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1770	0.000	1	109.1770	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(H)	110.1375	0.223	2	110.8052	1.256	5	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.4890	0.103	2	110.8052	1.256	5	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	112.7730	0.000	1	110.8052	1.256	5	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	107.7080	0.000	1	107.7080	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.5860	0.000	1	107.5860	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.4190	0.000	1	110.4190	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)2(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.9665	2.098	2	109.9665	4.402	2	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9093	2.469	3	110.9093	6.095	3	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.0080	0.000	1	109.0080	0.000	1	110.0037	4.772	49	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.2730	0.000	1	110.5215	15.142	2	110.5906	3.794	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.7700	0.000	1	110.5215	15.142	2	110.5906	3.794	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.6367	0.093	3	110.6367	0.009	3	110.5906	3.794	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Br)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.8737	1.611	3	110.8737	2.597	3	110.8737	2.597	3	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.0120	0.000	1	110.0120	0.000	1	110.5810	0.648	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.1500	0.000	1	111.1500	0.000	1	110.5810	0.648	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6]2H)(H)	112.0400	0.000	1	112.0400	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	O(C[6]C[6]2H)(H)	109.3770	0.000	1	109.3770	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	109.3710	0.000	1	109.3710	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[6]2H)(H)	107.7850	0.000	1	107.7850	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.5155	1.743	2	108.5155	3.038	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5160	0.506	4	111.5160	0.256	4	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	108.9200	0.000	1	108.9200	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.9620	2.742	4	108.9620	7.519	4	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[6]2H)(H)	106.4960	0.000	1	106.4960	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	111.3030	1.602	2	111.3030	2.567	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	110.2740	0.000	1	110.2740	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.5750	0.000	1	110.5750	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.2925	0.122	2	110.2925	0.015	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[6]2H)(H)	109.4780	1.369	5	109.4780	1.874	5	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.3800	0.000	1	108.3800	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.9015	0.121	2	109.9015	0.015	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	108.8210	0.000	1	108.6690	0.046	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.5170	0.000	1	108.6690	0.046	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.2100	0.000	1	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.6490	0.000	1	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.9323	1.166	3	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	108.5645	0.429	2	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	109.5832	1.049	4	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	109.9310	0.000	1	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7906	1.626	136	109.7403	2.536	148	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.9190	0.000	1	108.9255	4.585	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4950	0.000	1	108.9255	4.585	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.5480	0.000	1	108.9255	4.585	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.3470	1.131	2	108.9255	4.585	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.3198	2.213	5	108.9255	4.585	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	109.6520	0.000	1	109.6520	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.4280	0.000	1	111.4280	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.1930	3.461	2	109.9605	6.041	4	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.1050	0.000	1	109.9605	6.041	4	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	109.3510	0.000	1	109.9605	6.041	4	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	108.1115	2.809	2	108.1115	7.892	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.7040	0.000	1	110.7040	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.0180	0.348	2	109.7958	2.302	16	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.9770	0.000	1	109.7958	2.302	16	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.3365	0.267	2	109.7958	2.302	16	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1760	0.837	5	109.7958	2.302	16	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.6945	1.860	6	109.7958	2.302	16	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.7440	0.765	2	110.7440	0.585	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	108.3410	0.228	2	108.1250	0.166	3	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	107.6930	0.000	1	108.1250	0.166	3	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	107.2215	0.235	2	109.4613	5.934	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.0213	2.415	8	109.4613	5.934	10	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8640	0.000	1	108.8640	0.000	1	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.3270	0.000	1	110.8065	0.460	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.2860	0.000	1	110.8065	0.460	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	O(C[6]C[6]2H)(H)	107.8150	0.709	2	107.8150	0.502	2	109.6675	2.786	235	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8590	0.513	2	108.8590	0.264	2	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.7750	1.224	4	112.7750	1.499	4	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Br)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.8637	0.244	3	112.8637	0.059	3	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4610	0.000	1	109.2325	0.104	2	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(Br)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0040	0.000	1	109.2325	0.104	2	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.2170	0.000	1	111.2170	0.000	1	111.4242	3.755	12	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.9600	0.000	1	111.9600	0.000	1	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.9540	0.000	1	111.9540	0.000	1	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.6960	0.000	1	111.6493	0.002	3	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.6260	0.017	2	111.6493	0.002	3	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.1400	0.000	1	111.1400	0.000	1	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.6133	1.799	3	110.6133	3.238	3	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(Cl)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.6130	0.000	1	110.6130	0.000	1	111.2455	1.066	10	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4760	0.000	1	109.4760	0.000	1	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8950	1.148	3	110.8950	1.317	3	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4440	0.000	1	108.2780	1.391	2	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1120	0.000	1	108.2780	1.391	2	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.4800	0.477	2	111.4800	0.227	2	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	106.2260	0.000	1	106.2260	0.000	1	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.1400	0.000	1	110.1400	0.000	1	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2658	1.161	5	109.2658	1.348	5	109.6248	2.677	15	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	106.6080	0.000	1	106.6080	0.000	1	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2490	0.174	2	110.2490	0.030	2	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2165	0.179	2	111.2165	0.032	2	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5169	0.824	9	109.5169	0.679	9	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.1760	0.000	1	109.1760	0.000	1	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.9930	1.885	4	109.9930	3.551	4	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	106.0120	0.233	2	106.0120	0.054	2	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.6090	0.000	1	110.6090	0.000	1	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.1030	0.000	1	109.1030	0.000	1	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.8920	0.000	1	108.8920	0.000	1	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.3431	2.348	8	108.5770	5.430	10	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5125	2.842	2	108.5770	5.430	10	109.1393	3.385	34	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	113.0470	0.000	1	113.0470	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4740	0.000	1	110.4740	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.3765	2.022	2	109.3765	4.087	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8073	0.975	3	110.8073	0.951	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	106.8340	0.000	1	106.8340	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.0273	2.730	3	110.6198	6.374	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.3970	0.000	1	110.6198	6.374	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.3730	0.000	1	107.3730	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	106.7490	0.000	1	106.7490	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	111.1853	1.206	3	111.1853	1.455	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	110.7910	0.000	1	110.7910	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(H)	110.5743	0.258	3	110.5743	0.066	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.6690	0.226	2	111.6690	0.051	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7185	0.828	2	108.7185	0.686	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8980	0.000	1	110.8980	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0670	0.000	1	110.1133	5.111	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.1365	2.121	2	110.1133	5.111	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1835	0.420	4	109.6042	3.311	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.1950	1.532	2	109.6042	3.311	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.8550	0.486	2	109.6042	3.311	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0365	0.214	2	111.0365	0.046	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.0790	0.223	2	109.0790	0.050	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9900	0.000	1	111.9900	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.3090	0.000	1	112.3090	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.4540	0.000	1	110.4540	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6090	0.120	2	111.6090	0.014	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.7310	0.000	1	111.7310	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	107.3210	0.000	1	107.3210	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4650	0.000	1	111.4650	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.8160	0.000	1	111.8160	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9310	0.000	1	111.9310	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	109.7030	0.000	1	109.7030	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.7510	0.000	1	109.7510	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1185	2.529	2	110.1185	6.397	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	106.8890	0.000	1	106.8890	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(H)	109.1044	1.639	5	109.1044	2.688	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	111.7020	0.000	1	111.7020	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.3060	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	108.8240	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	110.8920	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(H)	108.3240	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	110.5250	1.940	2	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	109.4163	1.755	30	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	111.5680	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	110.7770	0.000	1	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(H)	109.3797	1.850	90	109.4328	3.232	128	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(H)	109.7660	0.000	1	109.7660	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.4430	0.000	1	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.2670	0.000	1	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	112.7260	0.000	1	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.5820	0.750	3	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	107.0950	0.959	3	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.9090	1.819	2	109.6623	7.465	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9440	0.000	1	109.9440	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	108.8300	0.000	1	108.8300	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	109.8685	0.711	2	109.8112	0.858	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	109.7730	1.207	3	109.8112	0.858	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.2460	0.000	1	110.2460	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(H)	107.9835	0.088	2	107.9835	0.008	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	107.6307	0.985	3	107.6307	0.970	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.1080	0.000	1	110.9935	4.244	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2887	1.840	3	110.9935	4.244	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.9280	0.153	2	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4184	1.915	60	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	106.3010	0.000	1	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	112.3080	0.000	1	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.5096	0.924	7	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9605	0.398	2	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	113.0580	0.000	1	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.7940	0.000	1	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.5153	1.879	142	109.8713	3.788	217	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8550	0.000	1	109.2810	4.067	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.7070	0.000	1	109.2810	4.067	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1080	0.000	1	110.1080	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9410	2.448	2	109.8675	3.555	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9690	0.000	1	109.8675	3.555	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.6190	0.000	1	109.8675	3.555	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0960	0.000	1	108.0960	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	111.2840	0.000	1	111.2840	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.4460	0.000	1	109.5567	4.512	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	112.2340	0.000	1	109.5567	4.512	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	109.1650	2.125	4	109.5567	4.512	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0460	0.000	1	108.0460	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2175	1.440	2	110.2175	2.075	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.5410	0.000	1	110.9725	0.372	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4040	0.000	1	110.9725	0.372	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.5360	0.000	1	111.5360	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[6]2H)(H)	106.5740	0.000	1	106.5740	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	112.4340	0.000	1	112.4340	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	113.7740	0.000	1	113.7740	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	108.2700	0.000	1	108.2700	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4810	1.554	3	109.4810	2.413	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7693	0.292	3	108.7693	0.085	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	108.6570	0.000	1	108.6570	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	109.3645	2.866	2	109.3645	8.213	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	109.6095	2.262	4	109.6734	3.858	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	109.9290	0.000	1	109.6734	3.858	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.8120	0.000	1	110.8120	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[6]2H)(H)	110.9988	0.437	6	110.9988	0.191	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	109.0260	3.734	2	109.8236	4.612	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9730	0.000	1	109.8236	4.612	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	107.0730	0.000	1	109.8236	4.612	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8890	0.290	3	109.8236	4.612	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6105	0.687	4	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.1110	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.8520	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.1260	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9565	4.072	2	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6890	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	110.2090	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.0750	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4343	1.732	3	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9860	0.000	1	109.7941	3.858	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6]C[6]2H)(H)	108.6640	1.721	5	108.6640	2.964	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6]C[6]2H)(H)	110.7587	0.065	3	110.2220	1.155	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(H)	108.6120	0.000	1	110.2220	1.155	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	107.0760	0.000	1	107.0760	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	110.3330	0.000	1	110.3330	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	O(C[6]C[6]2H)(H)	108.2855	0.252	2	108.2855	0.064	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	110.3630	0.000	1	110.3630	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	105.2050	0.000	1	105.2050	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.9985	0.192	2	107.9985	0.037	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	O(C[6]C[6]2H)(H)	111.8600	0.000	1	111.8600	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5690	0.421	3	108.2998	0.260	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	107.8960	0.375	2	108.2998	0.260	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	O(C[6]C[6]2H)(H)	112.0900	0.000	1	110.7933	3.973	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3610	2.199	3	110.7933	3.973	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	105.7200	0.000	1	106.3315	0.748	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.9430	0.000	1	106.3315	0.748	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4510	0.000	1	109.4510	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	109.8720	0.000	1	109.8720	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9580	0.000	1	108.9020	3.171	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.8740	0.047	2	108.9020	3.171	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5030	2.102	2	110.5030	4.416	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(H)	111.3600	0.298	2	111.3600	0.089	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.6735	0.255	2	111.6735	0.065	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5067	0.435	3	111.1346	1.898	20	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2200	0.023	2	111.1346	1.898	20	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8987	1.569	6	111.1346	1.898	20	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4497	1.094	7	111.1346	1.898	20	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.5960	0.163	2	111.1346	1.898	20	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.8835	2.456	2	108.8835	6.031	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	113.4037	0.666	3	112.3153	5.035	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.0500	0.000	1	112.3153	5.035	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.5500	0.000	2	107.5500	0.000	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9475	2.311	4	109.7294	4.244	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	108.8570	0.000	1	109.7294	4.244	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.7250	0.617	2	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.2086	1.840	5	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3590	0.000	1	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.8929	1.614	22	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4000	0.000	1	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6320	0.000	1	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.3410	1.432	6	109.0677	2.963	38	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.0050	0.000	1	109.0050	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	107.9120	0.000	1	110.8460	6.457	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.3130	0.031	2	110.8460	6.457	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.8760	0.000	1	109.8760	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.7520	0.000	1	107.7520	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	106.9710	0.000	1	106.9710	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.0960	0.000	1	108.3470	0.316	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.4725	0.733	2	108.3470	0.316	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.9310	0.000	1	110.2069	2.872	9	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.3763	1.292	6	110.2069	2.872	9	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.3365	1.081	2	110.2069	2.872	9	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[6]C[6]2H)(H)	110.3580	0.000	1	110.3580	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O(C[6]C[6]2H)(H)	109.4023	0.722	3	109.4023	0.521	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.7480	0.000	1	111.2745	4.342	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.8010	0.000	1	111.2745	4.342	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	O(C[6]C[6]2H)(H)	111.7850	0.000	1	111.7850	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.6590	0.233	2	112.6590	0.054	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.0780	0.000	1	110.8448	0.954	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.8190	0.000	1	110.8448	0.954	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3920	0.000	1	110.8448	0.954	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0900	0.000	1	110.8448	0.954	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.9880	0.000	1	111.9880	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.6560	0.000	1	107.7203	0.037	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	107.5540	0.000	1	107.7203	0.037	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.8355	0.230	2	107.7203	0.037	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	O(C[6]C[6]2H)(H)	110.2605	0.852	2	110.2605	0.726	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.2320	0.000	1	109.2320	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	110.8596	1.940	12	110.8596	3.765	12	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	112.1310	0.000	1	110.6720	4.257	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	109.2130	0.000	1	110.6720	4.257	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.3630	0.274	2	107.3630	0.075	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6393	1.616	3	109.3405	3.708	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.4440	0.000	1	109.3405	3.708	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2575	2.846	2	108.4323	6.093	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	106.7820	0.000	1	108.4323	6.093	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.6480	0.849	2	112.6480	0.720	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7145	2.959	2	109.7145	8.757	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	O(C[6]C[6]2H)(H)	110.4190	3.263	2	110.4190	10.644	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4430	0.000	1	107.4430	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.8300	0.000	1	108.8300	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.9332	0.534	6	108.2717	2.553	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.2875	3.700	2	108.2717	2.553	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7760	0.212	6	110.9210	0.196	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3560	0.800	2	110.9210	0.196	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4350	0.000	1	108.6270	1.306	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.8190	0.000	1	108.6270	1.306	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.3070	0.000	1	109.6312	2.301	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4900	0.000	1	109.6312	2.301	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.1197	1.084	3	109.6312	2.301	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(H)	108.6950	2.487	3	108.6950	6.186	3	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3247	3.344	4	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.4540	1.848	4	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0400	3.633	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.7120	2.769	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.3603	2.470	8	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9360	2.138	8	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9170	3.094	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.8115	1.854	16	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7815	0.419	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8360	2.481	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.8201	1.930	10	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9573	0.302	4	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0650	0.158	2	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4110	0.000	1	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7974	1.660	9	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.2243	2.289	3	110.0185	3.876	79	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.3610	0.000	1	109.3475	4.420	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.4130	3.538	2	109.3475	4.420	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2044	1.719	8	109.3475	4.420	11	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8130	0.000	1	109.4701	3.124	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2783	1.817	7	109.4701	3.124	8	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.2490	0.174	2	109.1651	2.719	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.1970	1.822	2	109.1651	2.719	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	107.3780	0.000	1	109.1651	2.719	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9430	2.923	2	109.1651	2.719	7	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9990	1.773	20	110.0410	3.553	43	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.3218	1.876	4	110.0410	3.553	43	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5199	1.999	7	110.0410	3.553	43	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7489	2.132	10	110.0410	3.553	43	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.6850	3.318	2	110.0410	3.553	43	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	106.8300	0.000	2	110.1033	2.992	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5375	1.249	6	110.1033	2.992	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3459	0.445	8	110.1033	2.992	16	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.0790	0.000	1	112.0790	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2470	1.697	4	109.2470	2.881	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9893	0.670	3	110.2190	2.673	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9080	0.000	1	110.2190	2.673	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.2647	2.103	4	107.8222	3.127	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	106.9370	0.105	2	107.8222	3.127	6	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	113.1810	0.000	1	113.1810	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.0553	3.312	4	111.0553	10.971	4	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.6120	0.000	1	107.6120	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7650	0.000	1	108.7650	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1570	0.000	1	111.1570	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4543	1.002	4	109.2320	0.999	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	108.3430	0.000	1	109.2320	0.999	5	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	O(C[6]C[6]2H)(H)	110.0700	0.000	1	110.0700	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.0190	0.000	1	112.0190	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.0150	0.219	2	107.0150	0.048	2	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	107.4070	0.000	1	107.4070	0.000	1	109.7789	3.631	910	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	115.0830	0.000	1	115.0830	0.000	1	109.4044	10.195	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.9600	0.520	2	107.9600	0.271	2	109.4044	10.195	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.0095	0.446	2	108.0095	0.199	2	109.4044	10.195	5	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.0900	0.000	1	110.8270	0.138	2	111.1277	2.214	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5640	0.000	1	110.8270	0.138	2	111.1277	2.214	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5220	0.000	1	110.5220	0.000	1	111.1277	2.214	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.4295	2.019	4	111.4295	4.077	4	111.1277	2.214	7	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.3180	0.344	2	108.3180	0.118	2	108.3180	0.118	2	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:1:	P[6]-4:C[6]-4:O-2:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	O(C[6]C[6]P[6]H)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6]P[6]H)(H)	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	109.7405	3.984	1959	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(NOO)	106.8140	1.175	2	106.8140	1.381	2	106.8140	1.381	2	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(NOO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(NOO)	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]C[6]HH)2(ON[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(N[6]C[6]2)	C[6](C[6]C[6]HH)2(ON[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(N[6]C[6]2)	108.7530	5.105	2	108.7530	26.064	2	108.7530	26.064	2	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]O)	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]O)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3960	7.786	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	O(C[6]C[3,5,6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	O(C[6]C[3,5,6]C[6]H)(CH3)	105.4024	0.344	5	105.4024	0.118	5	105.4024	0.118	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[4,6]C[6]H)(SCOO)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(SCOO)	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	107.6655	0.751	6	108.0547	0.715	10	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.2900	0.000	1	108.0547	0.715	10	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.3415	0.398	2	108.0547	0.715	10	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	109.5810	0.000	1	108.0547	0.715	10	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	109.8425	2.731	4	109.9809	6.884	7	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.3980	0.016	2	109.9809	6.884	7	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	113.7000	0.000	1	109.9809	6.884	7	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	107.4840	0.000	1	107.4840	0.000	1	108.7721	3.810	18	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	110.8163	1.837	3	110.8163	3.373	3	110.8974	1.413	9	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	110.2857	0.615	3	110.2857	0.378	3	110.8974	1.413	9	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	111.1450	0.174	2	111.1450	0.030	2	110.8974	1.413	9	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	112.4810	0.000	1	112.4810	0.000	1	110.8974	1.413	9	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,5,6]C[6]H)(SiC3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,5,6]C[6]H)(SiC3)	110.1860	0.735	2	110.1860	0.541	2	110.1860	0.541	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	104.4697	0.782	3	104.4697	0.611	3	104.4697	0.611	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCHH)	112.0300	0.000	1	112.0300	0.000	1	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	111.2680	0.308	2	111.2680	0.095	2	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	110.0120	0.000	1	107.8008	7.825	5	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	107.2480	2.898	4	107.8008	7.825	5	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.7470	0.000	1	108.7470	0.000	1	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	110.3517	0.860	3	110.3517	0.739	3	109.4477	5.698	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCHH)	108.1950	0.000	1	108.1950	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	109.6415	1.431	4	109.6415	2.047	4	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H){1|Ru<6>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	112.2685	0.788	2	112.2685	0.622	2	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CHHO)	111.1935	0.424	2	111.1935	0.179	2	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	110.8110	0.000	1	110.8110	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.4374	0.894	8	111.4374	0.800	8	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	111.8150	0.000	1	111.8150	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CHHO)	110.5500	0.000	1	110.5500	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.6230	0.000	1	110.6230	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	113.6710	0.000	1	113.6710	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	112.1900	0.000	1	112.1900	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.5480	0.000	1	111.5480	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)2(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.0710	0.000	1	108.0710	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)2(H)2	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	109.0940	0.000	1	109.0940	0.000	1	110.9060	2.180	26	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	108.2000	0.000	1	108.2000	0.000	1	108.7642	2.872	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)2(H)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|N<2>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	109.6005	3.440	2	109.6005	11.834	2	108.7642	2.872	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SCOO)	107.8900	0.000	1	107.8900	0.000	1	108.7642	2.872	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(SCOO)	108.5590	0.000	1	108.5590	0.000	1	108.7642	2.872	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	108.7350	0.000	1	108.7350	0.000	1	108.7642	2.872	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	108.5165	2.652	2	108.5165	7.035	2	109.2343	1.749	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.2530	0.000	1	109.2530	0.000	1	109.2343	1.749	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.7490	0.000	1	109.7490	0.000	1	109.2343	1.749	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.7540	0.000	1	109.7540	0.000	1	109.2343	1.749	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.6170	0.000	1	109.6170	0.000	1	109.2343	1.749	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[5x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5x6]C[6]H)(CH3)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5x6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	O(C[6]C[5x6]C[6]H)(CH3)	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CHHO)	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	105.2580	0.044	2	105.2580	0.002	2	105.7423	0.705	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(SCOO)	106.7110	0.000	1	106.7110	0.000	1	105.7423	0.705	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	113.5040	0.000	1	113.5040	0.000	1	110.5730	17.182	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CHHO)	107.6420	0.000	1	107.6420	0.000	1	110.5730	17.182	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	107.2190	0.000	1	107.2190	0.000	1	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.9650	0.000	1	109.9650	0.000	1	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	O(C[6]C[6,6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCCH)	109.1050	0.000	1	109.1050	0.000	1	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.3905	1.537	2	110.4817	1.205	3	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.6640	0.000	1	110.4817	1.205	3	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.5760	0.000	1	110.5760	0.000	1	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	110.4980	0.000	1	110.4980	0.000	1	109.8510	1.721	8	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(SCOO)	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	112.3820	0.000	1	112.3820	0.000	1	110.1893	2.255	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.2830	0.000	1	110.2830	0.000	1	110.1893	2.255	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	109.0130	0.000	1	109.0130	0.000	1	110.1893	2.255	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	108.2160	0.000	1	109.8193	2.331	3	110.1893	2.255	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.6210	0.898	2	109.8193	2.331	3	110.1893	2.255	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.3840	0.000	1	109.3840	0.000	1	109.3645	0.001	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.3450	0.000	1	109.3450	0.000	1	109.3645	0.001	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CH3)	110.6725	1.496	2	110.6725	2.237	2	110.6725	2.237	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	106.4305	0.057	2	106.4305	0.003	2	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	111.3410	0.000	1	111.3410	0.000	1	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CH3)	106.1380	0.000	1	106.1380	0.000	1	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(CH3)	105.9890	0.000	1	105.9890	0.000	1	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.7620	0.000	1	110.7620	0.000	1	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	106.2790	0.000	1	106.2790	0.000	1	107.6243	5.534	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(SC[6a]OO)	107.4920	0.000	2	107.4920	0.000	2	107.9721	0.804	10	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.0640	0.000	1	108.0921	0.951	8	107.9721	0.804	10	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.3550	0.000	1	108.0921	0.951	8	107.9721	0.804	10	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	107.7210	1.029	3	108.0921	0.951	8	107.9721	0.804	10	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.3850	1.379	3	108.0921	0.951	8	107.9721	0.804	10	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	109.3880	0.000	1	109.3880	0.000	1	110.2610	4.494	4	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	111.6270	2.352	2	111.6270	5.531	2	110.2610	4.494	4	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	108.4020	0.000	1	108.4020	0.000	1	110.2610	4.494	4	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.7050	0.000	1	111.1575	0.600	2	110.5103	3.121	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.6100	0.000	1	111.1575	0.600	2	110.5103	3.121	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2514	2.059	5	110.2514	4.239	5	110.5103	3.121	7	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|Cl<1>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	110.4320	0.000	1	110.4320	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	110.5315	4.273	2	111.3287	11.036	3	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	112.9230	0.000	1	111.3287	11.036	3	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	106.9710	0.997	4	106.9710	0.995	4	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CHHO)	112.0750	0.000	1	112.0750	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CH3)	110.4400	0.000	1	110.4400	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	114.1940	0.567	2	114.1940	0.322	2	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	111.1870	0.000	1	111.1870	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCCH)	107.3300	0.000	1	107.3300	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CHHO)	111.2600	0.000	1	111.2600	0.000	1	110.1988	8.341	15	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.5335	3.146	6	108.5335	9.900	6	108.5335	9.900	6	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SO3)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(SO3)	108.0310	0.000	1	108.0310	0.000	1	109.1397	1.989	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	110.7270	0.000	1	110.7270	0.000	1	109.1397	1.989	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SCOO)	108.6610	0.000	1	108.6610	0.000	1	109.1397	1.989	3	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	107.9790	0.000	1	107.9790	0.000	1	109.4070	0.628	11	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	109.7770	0.038	4	109.7770	0.001	4	109.4070	0.628	11	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SiC3)	108.5530	0.000	2	108.5530	0.000	2	109.4070	0.628	11	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	109.8210	0.717	4	109.8210	0.515	4	109.4070	0.628	11	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.9070	0.000	1	108.9070	0.000	1	113.1038	7.697	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	114.1530	1.710	4	114.1530	2.923	4	113.1038	7.697	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.8530	0.000	1	106.8530	0.000	1	107.0124	2.104	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	105.6030	0.000	1	105.6030	0.000	1	107.0124	2.104	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]FH)2(OS)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	107.0550	2.049	2	107.0550	4.199	2	107.0124	2.104	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	108.4960	0.000	1	108.4960	0.000	1	107.0124	2.104	5	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	106.9725	0.301	4	106.9725	0.090	4	106.9725	0.090	4	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	105.1830	0.000	1	105.1830	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	107.4640	0.448	2	107.4640	0.201	2	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	109.3425	0.148	4	109.3425	0.022	4	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	111.6450	0.000	1	111.6450	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	110.3437	0.414	3	110.3437	0.171	3	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	112.6300	0.000	1	112.6300	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	111.0960	0.000	1	111.0960	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5]2Fe)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5]2Fe)(C[6]C[6]2H)	109.6780	0.000	1	109.6780	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	108.9040	0.000	1	108.9040	0.000	1	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	110.5575	1.660	25	110.5575	2.757	25	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	110.0217	2.716	6	110.0217	7.379	6	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5]2H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2H)	109.2275	2.614	2	109.2275	6.834	2	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	110.0675	1.541	2	110.0675	2.374	2	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	108.7105	4.069	2	108.7105	16.560	2	110.0489	3.763	52	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6,6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6,6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	110.1135	4.201	2	110.1135	17.648	2	110.1135	17.648	2	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	O(C[6]C[6]2H)(CH3)	105.9590	0.000	1	105.9590	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CC3)	106.5810	0.000	1	106.5810	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CH3)	111.5120	0.000	1	111.5120	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCHH)	112.4205	0.494	2	112.4205	0.244	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	108.3750	0.000	1	108.3750	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	110.0330	1.082	2	110.0330	1.170	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CHHO)	110.3614	1.182	8	110.3614	1.397	8	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CH3)	110.7990	0.518	4	110.7990	0.268	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CC3)	109.4180	1.508	3	109.4180	2.273	3	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CCCO)	105.9930	1.672	3	105.9930	2.796	3	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CH3)	110.0230	0.000	1	110.0230	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(CHHO)	109.8490	0.000	1	109.8490	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	111.9280	0.000	2	111.7515	0.042	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	111.5750	0.000	2	111.7515	0.042	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	110.4350	0.000	1	110.4350	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCHH)	102.9970	0.000	1	102.9970	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]2H)	106.1220	0.000	1	106.1220	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.7820	0.000	1	108.7820	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CH3)	107.9490	0.000	1	112.2403	3.902	7	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	113.0100	0.679	2	112.2403	3.902	7	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CH3)	112.9283	0.697	4	112.2403	3.902	7	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	107.1980	0.000	1	107.1980	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CHHO)	108.0800	0.000	1	108.0800	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O(C[6]C[6]2H)(CCHH)	112.2850	0.000	1	112.2850	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	O(C[6]C[6]2H)(CC3)	106.6690	0.000	1	106.6690	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	110.8900	0.000	1	110.8900	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	111.6640	0.000	1	111.2335	0.371	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CH3)	110.8030	0.000	1	111.2335	0.371	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	111.6790	1.475	2	111.6790	2.176	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.6540	0.000	1	110.6540	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]HH)	112.4832	0.886	4	112.4832	0.786	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	111.1192	1.705	5	111.1192	2.907	5	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5]HH)	110.1234	0.732	5	110.1234	0.535	5	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CN[5a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5a]HH)	109.5745	0.971	2	109.5745	0.943	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CP[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CP[5]HH)	109.5270	0.000	1	109.5270	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	107.4278	0.219	4	107.4278	0.048	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	111.4240	0.000	1	111.4240	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	111.1548	2.976	4	111.1548	8.858	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	106.8600	0.000	1	106.8600	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CH3)	107.1175	0.624	2	107.1175	0.390	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[5a]HH)	108.2970	0.000	1	108.2970	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	114.4100	0.000	1	114.4100	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	105.0340	0.000	1	105.0340	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2930	0.000	2	110.2930	0.000	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCHH)	111.5659	2.458	67	111.5659	6.043	67	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	106.9170	0.000	1	106.9170	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1000	0.000	1	110.1000	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	111.9717	2.691	3	111.9717	7.240	3	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.9540	0.000	1	109.5770	0.284	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.2000	0.000	1	109.5770	0.284	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CF3)	110.5070	1.015	2	110.5070	1.031	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC3)	111.3820	0.000	1	110.6035	1.212	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CC3)	109.8250	0.000	1	110.6035	1.212	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5]CH)	106.2730	2.059	3	106.2730	4.240	3	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	110.9767	1.967	3	110.9767	3.869	3	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCCH)	108.5300	0.000	1	108.5300	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	112.2540	0.000	1	112.2540	0.000	1	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	105.8190	0.000	1	109.0323	9.324	9	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.2550	3.110	6	109.0323	9.324	9	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.9710	3.721	2	109.0323	9.324	9	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	109.7665	3.297	2	109.7665	10.872	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.1070	2.462	2	109.0956	10.745	10	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.3585	3.910	4	109.0956	10.745	10	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.7915	4.284	2	109.0956	10.745	10	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8625	5.085	2	109.0956	10.745	10	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	107.7455	3.053	2	107.7455	9.318	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CH3)	110.4785	3.305	4	110.4785	10.921	4	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	109.7315	5.250	2	109.7315	27.565	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]HH)	110.5280	3.883	18	110.5280	15.076	18	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	113.6750	0.000	1	112.4160	3.170	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	111.1570	0.000	1	112.4160	3.170	2	110.4364	7.531	222	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.4530	0.000	1	109.3538	0.585	8	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.4824	0.727	7	109.3538	0.585	8	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.8403	2.189	6	108.8403	4.790	6	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.9393	0.561	3	109.9393	0.315	3	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)2	102.9110	0.000	1	102.9110	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.0660	1.127	2	112.0660	1.270	2	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)2	111.2490	0.000	1	111.2490	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)2	109.7880	0.000	1	109.7880	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.5120	0.000	1	111.5120	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)2	107.2910	0.000	1	107.2910	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.3595	2.454	2	109.3595	6.024	2	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	112.0630	0.000	1	112.0630	0.000	1	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.5535	0.555	2	111.5535	0.308	2	109.6021	4.394	29	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]SS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(PC[6a]SS)	108.1640	0.000	1	108.1640	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PCCO)	108.8215	1.777	2	108.8215	3.158	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]2B)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]2B)	108.9421	0.992	7	108.9421	0.984	7	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]2Pd)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]2Pd)	109.2855	0.286	2	109.2855	0.082	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]CO)	108.8718	2.017	12	108.8718	4.070	12	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]NO)	108.3402	1.615	4	108.3402	2.608	4	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]OS)	109.0170	1.288	2	109.0170	1.660	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]PtO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]PtO)	107.8940	0.000	1	107.8940	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PFOS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PFOS)	110.3280	0.000	1	110.3280	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PO3)	109.1187	1.449	3	109.1187	2.099	3	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PPdCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PPdCO)	108.2490	0.000	1	108.2490	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PPdNN)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PPdNN)	107.8595	1.071	2	107.8595	1.148	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	O(C[6]C[6]2H)(PO3)	108.5850	0.000	1	108.5850	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6a]2Ru)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]2Ru)	105.7717	1.090	4	105.7717	1.188	4	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[6]2Pd)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6]2Pd)	106.7310	0.000	1	106.7310	0.000	1	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PCOS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PCOS)	108.0470	1.220	2	108.0470	1.490	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PC[5]OO)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[5]OO)	107.8610	0.175	2	107.8610	0.031	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PCoOO)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PCoOO)	108.0160	0.782	6	108.0160	0.611	6	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PNiCC)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PNiCC)	110.9770	0.270	2	110.9770	0.073	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO3)	108.4680	1.760	4	108.4680	3.098	4	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(POSS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(POSS)	108.4868	1.081	4	108.4868	1.168	4	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PPtCC)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPtCC)	106.0630	0.154	2	106.0630	0.024	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(PNiCC)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PNiCC)	107.3080	0.769	2	107.3080	0.592	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(PPtCC)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPtCC)	112.2385	0.646	2	112.2385	0.417	2	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PIrCC)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(PIrCC)	108.6753	1.274	4	108.6753	1.623	4	108.4917	2.702	74	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.0360	0.000	2	108.0360	0.000	2	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	107.9440	0.000	1	107.9440	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	107.3680	0.000	1	107.3680	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.1790	0.497	3	107.2800	3.397	4	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	104.5830	0.000	1	107.2800	3.397	4	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.2190	1.119	2	108.3080	0.649	3	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.4860	0.000	1	108.3080	0.649	3	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	108.3510	0.000	1	108.3510	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SClOO)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(SClOO)	108.9840	0.000	1	108.9840	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	106.6090	0.000	1	106.6090	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.9960	0.000	1	108.9960	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	109.0790	0.000	1	106.7690	10.672	2	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	104.4590	0.000	1	106.7690	10.672	2	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SC3)	110.8355	0.767	2	110.8355	0.589	2	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	106.9235	1.222	6	106.9235	1.494	6	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	107.3725	1.476	12	107.3725	2.179	12	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	108.0250	2.866	4	108.0250	8.212	4	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	107.6865	1.815	2	107.6865	3.295	2	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	106.7620	0.000	1	106.7620	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	109.7800	0.000	1	109.7800	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	106.9230	0.000	1	106.9230	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.3010	0.000	1	106.3010	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	109.4810	0.000	1	109.4810	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)2(OS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	109.2270	0.000	1	109.2270	0.000	1	107.7456	2.691	49	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.3530	0.000	1	109.3530	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	108.2160	0.000	1	108.2160	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.6200	0.000	1	108.6200	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	108.3350	0.000	1	108.3350	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(SiC3)	108.2170	0.000	1	108.2170	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	110.8640	0.000	1	110.8640	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.5750	0.000	1	109.5750	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	O(C[6]C[6]2H)(SiC3)	109.7174	0.833	5	109.7174	0.695	5	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	109.0240	0.000	1	109.0240	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	109.6390	0.000	1	109.6390	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	107.8705	0.025	4	107.8705	0.001	4	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	112.2750	0.000	2	112.2750	0.000	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	110.2553	0.819	4	110.2553	0.671	4	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(SiC3)	110.5090	0.000	1	110.5090	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	O(C[6]C[6]2H)(SiC3)	109.7860	0.000	1	109.7860	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(SiC[6a]2C)	111.8510	0.000	1	111.4970	0.251	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(SiC[6a]2C)	111.1430	0.000	1	111.4970	0.251	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	109.8265	0.179	2	109.8265	0.032	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.9780	0.000	1	109.7080	0.146	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(SiC3)	109.4380	0.000	1	109.7080	0.146	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	111.5250	0.000	1	111.5250	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.4260	0.000	1	109.4260	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	107.1630	0.000	2	107.1630	0.000	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.0370	0.129	2	110.0370	0.017	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	O(C[6]C[6]2H)(SiO3)	C[6](C[6]C[6]HH)2(OSi)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(SiO3)	109.3571	0.957	8	109.3571	0.915	8	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.0190	0.000	2	110.0190	0.000	2	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(H)	C[6](C[6]C[6]HO)2(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	106.3460	0.000	1	106.3460	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(SiC3)	110.9510	0.000	1	110.9510	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(SiC[6a]CO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(SiC[6a]CO)	111.7630	0.000	1	111.7630	0.000	1	109.5911	1.804	51	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(PC[6a]C[6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(PC[6a]C[6]O)(C[6]C[6]2H)	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	O(P[5]N[5,6]2S)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(P[5]N[5,6]2S)(C[6]C[6]2H)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(H)(I)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CHHO)	109.5697	0.241	4	109.5697	0.058	4	109.5697	0.058	4	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.6083	1.403	12	105.6083	1.968	12	105.6083	1.968	12	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CH3)	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:4:	P[6]-4:C[6]-4:O-2:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	O(C[6]C[6]P[6]H)(CCHH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6]P[6]H)(CCHH)	114.1620	0.000	1	114.1620	0.000	1	114.1620	0.000	1	109.5219	5.969	697	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:5:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-5:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PNiOSS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PNiOSS)	107.1358	0.221	4	107.1358	0.049	4	108.8176	5.288	46	108.8176	5.288	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:5:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-5:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PO4)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO4)	109.1826	2.372	38	109.1826	5.626	38	108.8176	5.288	46	108.8176	5.288	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:1:1:	4:5:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-5:	C[6](C[6]C[6]HH)2(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(PPtOSS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPtOSS)	107.0323	0.419	4	107.0323	0.175	4	108.8176	5.288	46	108.8176	5.288	46	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	111.4420	0.000	1	111.4420	0.000	1	111.2006	1.853	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	108.3300	0.000	1	108.3300	0.000	1	111.2006	1.853	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	111.9840	0.000	1	111.9840	0.000	1	111.2006	1.853	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	111.6620	0.672	4	111.6620	0.452	4	111.2006	1.853	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]H)(H)	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	106.3080	0.000	1	106.3080	0.000	1	106.3080	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	109.4368	1.731	6	109.4368	2.996	6	110.9149	5.652	10	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	112.3540	0.266	2	112.3540	0.071	2	110.9149	5.652	10	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	113.9100	0.792	2	113.9100	0.627	2	110.9149	5.652	10	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.9370	2.943	3	107.9370	8.661	3	107.9370	8.661	3	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.8740	0.000	1	106.8740	0.000	1	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.7395	3.748	2	108.7395	14.050	2	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	105.2640	0.000	1	109.0400	28.516	2	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.8160	0.000	1	109.0400	28.516	2	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.1780	0.000	1	105.1500	8.226	2	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	O(C[6]C[5,6]C[6]H)(H)	103.1220	0.000	1	105.1500	8.226	2	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.5567	2.477	3	108.5567	6.136	3	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.4980	0.000	1	106.4980	0.000	1	107.7183	8.615	11	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.6920	0.000	1	111.6920	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.1280	0.000	3	110.1280	0.000	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.0420	0.000	1	111.0420	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.0750	1.279	3	109.3858	6.234	5	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	106.8520	0.513	2	109.3858	6.234	5	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.8230	0.000	1	111.8230	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.6310	2.133	4	110.6310	4.548	4	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	109.6080	0.000	1	110.2080	0.720	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.8080	0.000	1	110.2080	0.720	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.4090	0.000	1	109.4090	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.9930	1.991	2	110.9930	3.965	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.2160	0.000	1	111.2160	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(H)	106.8200	0.000	1	106.8200	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.5500	0.000	1	111.2083	4.583	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.6250	0.000	1	111.2083	4.583	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4500	0.000	1	111.2083	4.583	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.4195	1.240	2	109.4195	1.537	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[5,6]C[6]H)(H)	111.5380	0.000	1	110.2935	3.098	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.0490	0.000	1	110.2935	3.098	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	O(C[6]C[5,6]C[6]H)(H)	107.4120	0.000	1	109.8313	4.473	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]C[6]H)(H)	111.3290	0.000	1	109.8313	4.473	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]C[6]H)(H)	110.7530	0.000	1	109.8313	4.473	3	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]C[6]H)(H)	110.0810	0.000	1	110.0810	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	111.5210	0.000	1	111.5210	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	106.2320	0.000	1	106.2320	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	110.1890	0.000	1	110.1890	0.000	1	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	111.7215	0.510	2	111.7215	0.260	2	110.2172	3.164	38	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(SS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]C[6]H)(H)	107.0365	1.708	2	107.0365	2.916	2	107.0365	2.916	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.3110	0.000	1	109.3110	0.000	1	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.4720	0.000	1	111.2560	2.957	2	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.0400	0.000	1	111.2560	2.957	2	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1660	0.128	4	107.1660	0.016	4	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.6370	0.000	1	111.1480	0.522	2	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.6590	0.000	1	111.1480	0.522	2	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.3545	1.617	2	111.3545	2.615	2	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7010	0.000	1	110.7010	0.000	1	109.6827	4.317	12	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.6690	0.000	1	110.6690	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.4580	0.000	1	108.4580	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	103.3740	0.000	1	103.3740	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	106.6920	0.000	1	106.6920	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.0890	0.000	1	108.0890	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.2000	0.000	1	109.7100	0.480	2	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.2200	0.000	1	109.7100	0.480	2	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.6005	1.382	2	108.3762	5.565	4	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.1520	1.474	2	108.3762	5.565	4	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.9680	0.000	1	108.9680	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	110.7950	0.000	1	110.7950	0.000	1	108.4592	5.004	13	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.8445	0.931	2	109.8445	0.867	2	111.6995	4.879	4	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)2(NN)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	113.5545	0.084	2	113.5545	0.007	2	111.6995	4.879	4	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.0880	0.000	1	108.0880	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	112.9640	0.049	2	112.9640	0.002	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	104.6800	0.000	1	104.6800	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.9140	0.000	1	107.9140	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.3760	0.000	1	106.3760	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.2430	0.000	1	106.9526	3.526	5	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	104.2270	0.000	1	106.9526	3.526	5	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.4310	1.470	3	106.9526	3.526	5	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.9340	0.000	2	111.9340	0.000	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.9485	0.078	2	109.8183	3.835	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	107.5580	0.000	1	109.8183	3.835	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.8300	0.000	1	108.8300	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.8436	1.752	10	109.8436	3.071	10	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	106.9230	0.000	1	111.4701	4.514	7	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	112.2280	0.769	6	111.4701	4.514	7	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6,6]C[6]H)(H)	110.3240	0.000	1	110.3240	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.0742	1.772	9	111.0742	3.140	9	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.5840	0.000	1	113.5840	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.4890	0.146	2	111.4890	0.021	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.5680	0.649	2	109.8672	3.608	12	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.5727	2.700	3	109.8672	3.608	12	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.0710	0.949	2	109.8672	3.608	12	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.0110	1.908	2	109.8672	3.608	12	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.4630	1.383	3	109.8672	3.608	12	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.7910	0.745	2	109.7910	0.555	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.8490	0.000	1	111.8490	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.9890	0.000	1	110.2213	7.080	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.8375	3.644	2	110.2213	7.080	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.0260	0.000	1	111.0260	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.3415	0.128	2	112.3415	0.016	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.9800	0.000	1	110.9800	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.7240	0.000	1	111.0580	0.513	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	111.2250	0.926	2	111.0580	0.513	3	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.4050	0.000	1	110.4050	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	113.2760	0.000	1	113.2760	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.3680	0.000	1	108.8615	0.513	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.3550	0.000	1	108.8615	0.513	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	107.6725	0.064	2	108.6552	1.364	4	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.6380	0.475	2	108.6552	1.364	4	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	107.3347	1.027	4	107.3347	1.054	4	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.2510	0.000	1	109.6205	0.273	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.9900	0.000	1	109.6205	0.273	2	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)2(OC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	113.9810	0.000	1	113.9810	0.000	1	110.0475	4.837	87	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6970	1.465	2	110.6970	2.147	2	110.6970	2.147	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.2865	1.206	2	106.2865	1.454	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	105.8620	0.000	1	105.8620	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2560	0.000	1	108.2560	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	O(C[6]C[6]2H)(H)	110.9560	0.000	1	110.9560	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.5620	0.000	1	111.8480	2.242	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	113.4920	0.000	1	111.8480	2.242	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	111.4900	0.000	1	111.8480	2.242	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	105.6880	0.000	1	105.6880	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.3340	0.000	1	111.3340	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	108.0660	0.000	1	108.0660	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	108.4450	1.534	2	108.4450	2.354	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.0080	0.000	1	110.0080	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8260	0.206	2	110.8260	0.043	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[6]2H)(H)	108.4890	0.000	1	109.5633	5.859	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(H)	107.8660	0.000	1	109.5633	5.859	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	O(C[6]C[6]2H)(H)	112.3350	0.000	1	109.5633	5.859	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.3945	1.518	2	110.5476	5.620	5	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9830	1.536	3	110.5476	5.620	5	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.3410	0.000	1	110.3410	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2252	2.066	4	109.2252	4.267	4	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.3120	0.000	1	111.1045	1.256	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.8970	0.000	1	111.1045	1.256	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.6680	0.000	1	110.6680	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2880	0.000	3	108.2880	0.000	3	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0170	0.000	1	109.0170	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1220	0.000	1	107.7155	23.208	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	104.3090	0.000	1	107.7155	23.208	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.0550	0.000	1	107.0550	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4560	0.000	1	110.4560	0.000	1	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.1050	3.053	2	110.1050	9.323	2	109.4145	4.891	42	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5920	0.000	1	110.5920	0.000	1	110.8630	0.147	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1340	0.000	1	111.1340	0.000	1	110.8630	0.147	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8430	0.000	1	109.6175	1.200	2	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3920	0.000	1	109.6175	1.200	2	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.1830	1.471	4	110.1830	2.164	4	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	O(C[6]C[6]2H)(H)	109.9820	0.000	1	109.9820	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6]2H)(H)	108.6200	0.216	2	108.6200	0.047	2	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.8400	0.000	1	110.8400	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.7610	0.000	1	111.0757	0.083	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2330	0.132	2	111.0757	0.083	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4160	0.000	1	109.8258	1.357	5	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.3760	0.000	1	109.8258	1.357	5	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.4457	1.473	3	109.8258	1.357	5	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7960	0.000	1	109.7960	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5100	0.000	1	111.5100	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	110.4740	0.000	1	108.5647	3.197	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	107.6100	0.962	2	108.5647	3.197	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6]2H)(H)	110.2820	0.000	1	110.2820	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5380	0.000	1	111.5380	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3290	0.000	1	109.3290	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.0363	2.126	10	109.0363	4.521	10	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	109.2337	2.672	6	109.3420	6.033	7	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9920	0.000	1	109.3420	6.033	7	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.3585	0.624	2	109.1020	0.992	4	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.8455	1.524	2	109.1020	0.992	4	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6]2H)(H)	109.4360	0.000	1	109.4360	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5130	0.000	1	109.5130	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0750	2.727	2	110.0151	1.584	12	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5180	0.327	3	110.0151	1.584	12	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3845	0.831	2	110.0151	1.584	12	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.1090	1.877	2	110.0151	1.584	12	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8300	1.150	3	110.0151	1.584	12	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5095	0.658	2	109.5095	0.433	2	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5960	0.000	1	110.0447	0.681	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7690	0.952	2	110.0447	0.681	3	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.3960	0.000	1	108.3960	0.000	1	109.6624	2.277	67	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.3780	0.727	2	110.3780	0.528	2	109.3461	1.634	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.1240	0.000	1	111.1240	0.000	1	109.3461	1.634	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.3858	0.313	4	108.3858	0.098	4	109.3461	1.634	7	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.1600	0.000	1	109.1600	0.000	1	109.8076	2.972	5	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(NC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.0230	0.000	1	111.0230	0.000	1	109.8076	2.972	5	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.4400	0.000	1	111.4400	0.000	1	109.8076	2.972	5	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.1410	0.000	1	107.1410	0.000	1	109.8076	2.972	5	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2740	0.000	1	110.2740	0.000	1	109.8076	2.972	5	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.8900	0.000	1	112.8900	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.2320	0.548	3	108.5882	0.708	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.6570	0.000	1	108.5882	0.708	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5350	0.000	1	110.5350	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6180	0.000	1	109.1555	1.209	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3347	1.273	3	109.1555	1.209	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5662	0.640	4	109.8693	3.266	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	108.4755	3.046	2	109.8693	3.266	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	107.0720	0.000	1	107.0720	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.2620	0.000	1	111.2620	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	109.1975	3.108	2	109.1975	9.658	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	O(C[6]C[6]2H)(H)	108.9007	2.253	15	108.9007	5.075	15	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7321	1.885	15	108.7321	3.552	15	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	114.2105	0.131	2	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	110.0700	0.064	2	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.5685	1.629	8	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.2050	0.000	1	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6190	0.202	2	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4245	0.013	2	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.6870	0.000	1	110.4493	3.213	18	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.0760	0.000	1	111.0760	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.7420	0.000	1	112.7420	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9720	0.000	1	111.9720	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.2152	1.776	10	110.2152	3.154	10	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.5910	1.028	2	109.3840	4.691	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.1770	0.396	2	109.3840	4.691	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	O(C[6]C[6]2H)(H)	111.1620	0.000	1	111.1620	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.4120	0.000	1	112.4120	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8798	1.734	16	110.8798	3.005	16	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	108.7400	0.000	1	108.7400	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	107.7680	0.000	1	107.7680	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	108.8860	1.300	2	108.8860	1.689	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	O(C[6]C[6]2H)(H)	110.4455	1.353	2	110.4455	1.830	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9360	0.000	1	109.5805	0.831	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2250	0.000	1	109.5805	0.831	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2270	2.925	2	109.2270	8.553	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9260	0.000	1	110.9260	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.6727	0.793	3	108.3574	3.163	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.1682	2.259	5	108.3574	3.163	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9210	0.000	1	109.9210	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.6240	0.000	1	111.6240	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(H)	109.0330	0.000	1	109.0330	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.4625	0.974	2	109.4625	0.948	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2885	2.739	4	109.2885	7.499	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2420	0.000	1	111.2420	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	111.9440	0.000	1	111.9440	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5273	1.107	4	110.1658	1.572	5	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7200	0.000	1	110.1658	1.572	5	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	109.8550	2.035	3	109.8550	4.139	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	114.2690	0.000	1	114.2690	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3320	0.000	1	110.3320	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	O(C[6]C[6]2H)(H)	111.6840	1.908	2	111.6840	3.640	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	111.0130	0.000	1	111.0130	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(H)	111.3910	0.000	1	111.3910	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.1697	1.523	4	109.1697	2.319	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2460	0.000	1	109.2460	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.3227	0.877	3	108.6950	5.737	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.1184	1.703	5	108.6950	5.737	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.4660	0.000	1	110.4660	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.9900	0.000	1	108.9900	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.7670	0.000	1	110.7670	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.3960	0.000	2	110.7617	0.401	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.4930	0.000	1	110.7617	0.401	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.7989	0.911	7	110.7989	0.829	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1280	1.584	6	110.6121	5.804	20	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.8196	2.714	14	110.6121	5.804	20	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6330	0.000	1	111.6330	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.5912	1.516	5	108.6267	4.824	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.2155	0.995	2	108.6267	4.824	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2720	0.000	2	111.2720	0.000	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.1200	0.000	1	107.8353	3.928	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.6930	0.165	2	107.8353	3.928	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7320	1.755	2	109.3693	2.759	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6440	0.000	1	109.3693	2.759	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	113.2520	0.000	1	111.5902	1.431	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2578	0.980	5	111.5902	1.431	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.7860	0.980	6	110.1914	1.707	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.9035	1.559	2	110.1914	1.707	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2000	0.000	1	110.1914	1.707	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.2040	0.000	1	107.2040	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7540	0.000	1	109.7540	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.5803	0.825	3	107.5803	0.681	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.8518	1.045	5	108.8160	0.773	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7265	0.503	2	108.8160	0.773	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.8610	0.000	1	107.2325	0.790	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	106.6040	0.000	1	107.2325	0.790	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8245	2.184	2	109.8245	4.771	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(H)	111.0085	0.767	2	111.0085	0.589	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	108.9990	0.444	2	110.5113	1.993	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	112.3430	0.000	1	110.5113	1.993	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	110.3940	1.122	11	110.5113	1.993	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(H)	112.5535	0.344	2	110.5113	1.993	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	108.9100	0.000	1	110.5113	1.993	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(H)	112.5730	0.000	1	112.5730	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8053	0.584	4	111.6138	2.894	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	O(C[6]C[6]2H)(H)	112.7950	1.121	6	111.6138	2.894	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.9380	0.000	1	111.6138	2.894	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.4370	0.000	1	111.6138	2.894	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.2215	1.858	2	109.9513	3.323	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4110	0.000	1	109.9513	3.323	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.0950	0.000	1	110.3045	0.150	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.5060	0.537	2	110.3045	0.150	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1110	0.000	1	110.3045	0.150	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5655	0.807	2	111.5655	0.651	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	111.3835	1.249	2	111.3835	1.561	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.1510	0.000	1	112.1510	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.0170	0.000	1	111.4451	1.377	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.4400	0.547	2	111.4451	1.377	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0547	1.193	4	111.4451	1.377	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.4040	0.000	1	112.4040	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8520	2.215	2	110.5427	3.883	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9240	0.000	1	110.5427	3.883	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.4140	0.000	1	111.8275	3.996	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	113.2410	0.000	1	111.8275	3.996	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9755	1.109	2	109.7560	5.157	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	105.5020	0.000	1	109.7560	5.157	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7096	2.246	11	109.7560	5.157	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2990	0.000	1	109.7560	5.157	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.1470	0.993	2	109.7560	5.157	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.4340	0.000	1	110.3268	2.065	11	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.3171	1.606	9	110.3268	2.065	11	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.3070	0.000	1	110.3268	2.065	11	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.3865	1.741	4	109.3865	3.031	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.9757	1.586	3	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2530	0.000	1	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0010	0.000	1	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.4522	2.024	5	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.8018	1.800	9	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9003	1.159	10	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.0853	2.111	180	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(C[6]C[6]2H)(H)	105.9650	0.499	2	110.0045	4.382	211	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3950	0.000	1	109.3950	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.6845	1.365	17	110.6845	1.864	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0260	0.000	1	109.0260	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.6830	0.000	1	107.6830	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8605	0.006	2	110.8605	0.000	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.7990	0.000	1	111.9257	0.082	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.9510	0.312	5	111.9257	0.082	6	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.4810	0.000	1	108.4810	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0985	1.013	2	110.4634	2.601	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.2678	1.579	17	110.4634	2.601	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.9530	0.000	1	110.4634	2.601	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.6840	0.000	1	110.4634	2.601	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1315	1.746	8	110.4634	2.601	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0523	1.482	7	109.3277	2.490	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2560	0.000	1	109.3277	2.490	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.1340	0.000	1	108.1340	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.4710	0.000	1	112.4710	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.9623	2.145	3	109.9623	4.600	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.0490	0.000	1	107.0490	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9440	0.000	1	107.9440	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.8293	0.861	3	107.8293	0.742	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	104.5870	0.000	1	109.2054	6.385	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8967	1.960	4	109.2054	6.385	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	111.0870	0.000	1	109.2054	6.385	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1770	0.000	1	109.2054	6.385	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.6930	5.216	2	110.6930	27.203	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.0690	1.973	5	110.8122	5.516	252	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.8027	2.381	236	110.8122	5.516	252	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8986	1.893	11	110.8122	5.516	252	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.9625	1.421	2	108.3705	3.319	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.8471	1.757	10	108.3705	3.319	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4200	0.000	1	108.3705	3.319	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4300	0.086	2	106.4300	0.007	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.5385	2.658	2	109.5385	7.065	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.1250	0.000	1	108.1250	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0700	0.000	1	112.0700	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9550	0.000	1	108.9550	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.4935	2.081	4	108.4370	3.265	5	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	108.2110	0.000	1	108.4370	3.265	5	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.0735	0.627	4	110.0735	0.394	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2360	2.718	2	109.7523	4.271	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8600	2.282	6	109.7523	4.271	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	110.1390	0.000	1	109.7523	4.271	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4545	1.215	4	106.4545	1.476	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1232	1.423	4	109.9312	3.677	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	106.7650	0.000	1	109.9312	3.677	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.0638	2.075	6	109.9312	3.677	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5330	0.000	1	109.9312	3.677	12	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.6523	1.875	3	109.6523	3.514	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.2510	0.000	1	110.5245	0.861	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.1640	0.000	1	110.5245	0.861	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8415	0.069	2	110.5245	0.861	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.3860	0.000	1	109.4643	4.501	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.0832	2.744	4	109.4643	4.501	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2655	0.073	2	109.4643	4.501	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.1730	1.077	6	110.8731	2.413	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.6850	0.000	1	110.8731	2.413	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.5675	1.357	2	110.8731	2.413	9	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.8290	0.000	1	110.6328	2.490	63	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	112.0750	0.000	1	110.6328	2.490	63	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	110.7100	0.000	1	110.6328	2.490	63	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.6209	1.603	60	110.6328	2.490	63	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.9510	0.000	1	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.8010	0.000	1	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.8790	1.594	5	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.5044	1.442	9	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.8974	1.847	10	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	O(C[6]C[6]2H)(H)	110.5325	1.954	2	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	112.0433	1.017	3	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.3952	2.019	179	110.3886	3.894	210	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.9668	1.342	17	109.9668	1.802	17	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.2270	0.000	1	111.2270	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.8270	0.000	1	109.8270	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	113.1835	0.279	2	113.1835	0.078	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.4865	4.303	2	110.3622	3.195	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.8198	1.540	17	110.3622	3.195	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.1090	0.000	1	110.3622	3.195	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	112.2330	0.000	1	110.3622	3.195	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.4068	1.398	8	110.3622	3.195	29	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.3509	1.124	7	109.2346	1.191	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.4210	0.000	1	109.2346	1.191	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.1600	0.000	1	109.1733	3.141	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.8422	1.688	6	109.1733	3.141	7	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.7012	1.483	5	109.5889	3.649	253	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.6416	1.896	237	109.5889	3.649	253	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.8556	2.275	11	109.5889	3.649	253	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.1205	1.892	2	110.3794	2.438	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.1781	1.629	10	110.3794	2.438	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.9100	0.000	1	110.3794	2.438	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.0100	1.462	2	110.0100	2.138	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.4120	0.591	2	108.4120	0.349	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8675	0.230	2	110.7529	0.994	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.4560	0.000	1	110.7529	0.994	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.6630	0.000	1	110.7529	0.994	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.3739	1.063	7	110.7529	0.994	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.1585	0.056	2	110.7529	0.994	13	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3650	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	112.3300	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9910	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9515	0.722	2	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.3600	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.4625	0.005	2	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	107.9165	0.371	2	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.2124	0.767	5	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.4723	0.514	4	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.8202	1.919	6	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4990	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.5635	2.532	2	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6467	0.339	4	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.7240	0.345	2	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7825	1.389	68	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	108.5803	1.522	4	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.2400	0.000	1	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.4330	1.341	4	109.7184	2.193	111	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9280	0.000	1	107.9280	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)2(OS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.9145	0.827	2	108.9145	0.683	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	110.6830	0.000	1	108.9553	4.643	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	108.0915	2.193	2	108.9553	4.643	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	110.9250	0.000	1	110.9250	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	113.0360	0.000	1	113.0360	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	108.0740	0.000	1	110.0791	3.018	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	110.3656	1.660	7	110.0791	3.018	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.7830	0.000	1	110.7830	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5890	0.000	1	110.5890	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9600	0.000	1	110.3547	1.520	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0520	0.349	2	110.3547	1.520	3	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0470	0.000	1	108.0470	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.9640	0.000	1	108.9640	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	109.7140	0.000	1	109.7140	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4120	0.000	1	110.4120	0.000	1	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	105.9820	0.634	2	105.9820	0.401	2	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3466	1.511	7	111.0331	2.744	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(C[6]C[6]2H)(H)	108.8390	0.000	1	111.0331	2.744	8	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4335	0.593	2	109.0780	4.572	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.7225	1.596	2	109.0780	4.572	4	110.1028	4.012	1725	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.5230	0.000	1	111.5230	0.000	1	111.0935	0.369	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(H)	110.6640	0.000	1	110.6640	0.000	1	111.0935	0.369	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(SC[6a])(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.7150	4.171	3	108.7150	17.393	3	108.7150	17.393	3	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]P[6]H)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]P[6]H)(H)	108.3410	0.300	2	108.3410	0.090	2	108.3410	0.090	2	110.0395	4.102	2051	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(PC[6a]2)	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	105.9395	19.115	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	105.9395	19.115	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[3,6]C[6]H)(SiC3)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	O(C[6]C[3,6]C[6]H)(SiC3)	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	107.0812	0.084	4	107.0812	0.007	4	107.0812	0.007	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	107.2660	0.000	1	107.2660	0.000	1	106.9225	0.236	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	106.5790	0.000	1	106.5790	0.000	1	106.9225	0.236	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	106.3625	0.602	2	106.3625	0.362	2	106.3625	0.362	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.4090	0.188	2	110.4090	0.035	2	110.4090	0.035	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	109.1008	0.973	4	109.1008	0.946	4	109.1008	0.946	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.8810	0.000	1	110.8810	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.2050	0.000	1	110.2050	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.9320	0.000	1	110.9320	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	109.1550	1.778	2	109.1550	3.160	2	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.3390	0.000	1	106.3390	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	107.7290	0.000	1	107.7290	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	110.7250	0.000	1	110.7250	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	106.5865	2.343	2	106.5865	5.488	2	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	112.1630	0.000	1	112.1630	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	112.9400	0.116	2	112.9400	0.013	2	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	104.9570	0.000	1	104.9570	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.2740	0.000	1	106.2740	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.1320	0.000	1	111.1320	0.000	1	109.2938	7.250	16	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	108.2765	0.470	2	108.2765	0.221	2	107.9377	0.243	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.7530	0.000	1	107.7530	0.000	1	107.9377	0.243	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.4450	0.000	1	107.4450	0.000	1	107.9377	0.243	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6,6]HO)2(NN)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.6587	1.645	8	109.6587	2.706	8	109.6587	2.706	8	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	109.1815	0.421	2	109.1815	0.177	2	108.8261	4.239	17	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6]HH)	112.9420	0.000	1	112.9420	0.000	1	108.8261	4.239	17	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.9775	3.603	2	110.9775	12.980	2	108.8261	4.239	17	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(CH3)	108.5153	1.307	9	108.5153	1.708	9	108.8261	4.239	17	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	106.7150	0.400	3	106.7150	0.160	3	108.8261	4.239	17	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	108.5920	0.000	1	108.5920	0.000	1	106.4034	7.932	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(SCOO)	105.8563	2.929	4	105.8563	8.581	4	106.4034	7.932	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	110.4433	1.893	4	110.4433	3.584	4	110.6406	2.883	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6,6]HO)2(OC)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(SiC3)	111.4300	0.000	1	111.4300	0.000	1	110.6406	2.883	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	O(C[6]C[6]2H)(SiC3)	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.8300	0.000	1	109.8300	0.000	1	110.8435	2.054	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6]2H)(CH3)	111.8570	0.000	1	111.8570	0.000	1	110.8435	2.054	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	110.9930	0.870	2	110.9930	0.756	2	110.9930	0.756	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	108.3480	0.000	1	108.3480	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	107.8845	1.180	2	107.8845	1.393	2	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.8330	0.000	1	110.8330	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCCH)	112.0840	0.000	1	112.0840	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	112.6300	0.000	1	112.6300	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.9630	0.000	1	112.9630	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.0190	0.000	1	107.0190	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.4975	0.996	2	108.4975	0.993	2	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.1940	0.000	1	106.1940	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.6850	0.000	1	108.6850	0.000	1	109.2933	5.311	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6]2H)(CH3)	111.0240	0.110	2	111.0240	0.012	2	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.4890	0.000	1	108.6855	9.649	2	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	110.8820	0.000	1	108.6855	9.649	2	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.7950	0.000	1	107.7950	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.4698	4.191	4	110.4698	17.566	4	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	108.0638	1.859	9	108.0638	3.455	9	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.4060	0.000	1	109.6780	4.986	4	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.7687	0.585	3	109.6780	4.986	4	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCHH)	104.2680	0.000	1	104.2680	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	110.9050	0.000	1	110.9050	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	109.1580	0.049	2	109.1580	0.002	2	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCCO)	105.6900	0.000	1	105.6900	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2690	2.037	3	110.2690	4.151	3	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	108.9394	2.285	9	108.9394	5.222	9	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)2(OC)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.7660	0.000	1	111.7660	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)2(OC)(H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.8820	0.000	1	111.8820	0.000	1	109.1334	6.009	41	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	105.5810	0.000	1	105.5810	0.000	1	107.4808	2.570	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	107.9557	1.387	4	107.9557	1.923	4	107.4808	2.570	5	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(SiC3)	112.6190	0.000	2	112.6190	0.000	2	112.6190	0.000	2	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(SC[6a])(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(CHHO)	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.4235	0.889	2	108.4235	0.790	2	108.4082	2.577	11	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.6524	1.957	7	108.6524	3.831	7	108.4082	2.577	11	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.3640	0.000	1	107.3640	0.000	1	108.4082	2.577	11	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.7120	0.000	1	107.7120	0.000	1	108.4082	2.577	11	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.2900	1.593	4	106.2900	2.539	4	106.2900	2.539	4	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	111.0380	0.000	1	111.0380	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.0660	0.000	1	110.0660	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5060	0.000	1	107.9605	9.974	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.9440	1.181	2	107.9605	9.974	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	103.4480	0.000	1	107.9605	9.974	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.9580	1.237	2	109.9580	1.531	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.3635	1.046	2	112.3635	1.094	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	106.8840	0.000	1	106.8840	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	106.6777	0.935	3	106.6777	0.875	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	106.9780	0.000	1	106.9780	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CH3)	111.0910	0.000	1	111.0910	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CF3)	107.4720	0.000	1	107.4720	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	112.0692	1.323	4	112.0692	1.750	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1330	0.000	1	110.1330	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.9700	0.000	1	110.9700	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.7373	1.667	3	109.1120	5.166	5	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	111.1740	0.967	2	109.1120	5.166	5	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CH3)	113.1230	0.000	1	113.1230	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.5280	0.687	4	107.5280	0.472	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	108.8590	0.000	1	108.8590	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.7170	0.000	1	109.7170	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5860	0.000	1	108.5860	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	108.5010	2.690	67	108.5010	7.237	67	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	112.5610	0.000	1	112.5610	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.1020	0.000	2	108.1020	0.000	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	107.9430	0.402	2	107.9430	0.161	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	104.0950	0.000	1	104.0950	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	114.3750	0.000	1	114.3750	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.7810	0.000	1	111.7810	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]HH)	114.7980	0.000	1	113.2980	4.480	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]HH)	112.5480	2.363	2	113.2980	4.480	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.3740	0.000	1	112.3740	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]HH)	111.9880	0.670	4	111.9880	0.449	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2947	1.080	3	110.2947	1.166	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.5070	0.000	1	109.5123	0.001	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	109.5150	0.040	2	109.5123	0.001	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	O(C[6]C[6]2H)(CH3)	108.4820	0.000	2	108.4820	0.000	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.3190	0.991	2	109.3190	0.983	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.8510	1.205	3	109.8510	1.452	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	110.2850	0.000	1	110.2850	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	110.3030	0.000	1	110.3030	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.3787	1.288	4	109.3787	1.660	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.8900	0.000	1	110.8900	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.3510	0.261	4	110.3510	0.068	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	112.7420	0.000	1	112.0393	0.565	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.6880	0.624	2	112.0393	0.565	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.3700	0.000	1	108.5060	0.980	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.0740	0.156	2	108.5060	0.980	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCHH)	111.6740	0.000	1	111.6740	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	113.1970	0.000	1	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.7925	0.036	2	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.0900	0.402	2	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.0725	2.956	2	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.4977	2.047	4	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.8740	0.000	1	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2004	1.658	8	110.5287	2.648	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.0670	0.000	1	109.8963	1.223	13	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	109.9654	1.125	12	109.8963	1.223	13	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[5a]HH)	110.7957	1.290	6	110.7957	1.663	6	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.0650	0.000	1	110.0255	2.161	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.9860	0.000	1	110.0255	2.161	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.7715	2.477	2	109.7715	6.136	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.3830	0.000	1	112.3830	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.2260	0.000	1	109.2260	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CH3)	108.8410	1.119	2	108.8410	1.251	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.8660	0.000	1	109.8660	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.1380	0.000	1	106.1380	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCHH)	107.6290	0.000	1	107.6290	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5051	1.777	11	108.5051	3.159	11	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	105.3860	0.000	1	108.4356	4.929	34	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	108.5169	2.258	31	108.4356	4.929	34	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CH3)	108.7000	0.034	2	108.4356	4.929	34	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.9773	3.914	3	110.9773	15.318	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5580	0.000	1	105.9343	5.606	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]2H)(CC[6a]HH)	104.6225	0.941	2	105.9343	5.606	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.8860	2.985	2	109.8860	8.913	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	104.9190	0.000	1	104.9190	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.0903	1.773	3	110.2754	1.753	5	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.5530	0.684	2	110.2754	1.753	5	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	105.7110	0.000	1	105.7110	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.6460	0.000	1	108.6420	1.054	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.1400	0.788	2	108.6420	1.054	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	107.8970	0.000	1	107.8970	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.6720	0.000	1	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	113.7285	0.029	2	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.0055	0.706	2	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.8135	0.708	2	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.6499	1.774	7	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.1320	0.000	1	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.0611	0.925	8	109.9538	3.159	23	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	110.3410	0.000	1	108.6363	3.025	12	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.4813	1.735	11	108.6363	3.025	12	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.7730	0.000	1	106.8283	3.166	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	105.8560	0.812	2	106.8283	3.166	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.8877	2.166	19	108.8877	4.690	19	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.0060	0.000	1	107.2385	3.038	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.4710	0.000	1	107.2385	3.038	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	106.8510	1.332	4	106.8510	1.774	4	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.9510	0.000	1	108.9510	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.7930	0.000	1	108.7930	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.5450	0.000	1	112.5450	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	110.9145	0.005	2	110.9145	0.000	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.1710	0.000	1	108.1710	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	108.8430	0.000	1	108.8430	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	110.0130	0.000	1	110.0130	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8050	0.000	1	110.1087	5.335	10	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2536	2.401	9	110.1087	5.335	10	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	109.8473	1.976	32	109.7623	5.008	35	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	114.4030	0.000	1	109.7623	5.008	35	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	106.0825	0.630	2	109.7623	5.008	35	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	112.3790	0.000	1	112.3790	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	110.9700	0.356	2	110.9700	0.127	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.7085	0.844	2	108.7085	0.712	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5453	2.568	3	109.2931	3.490	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	111.4430	0.000	1	109.2931	3.490	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.0620	0.000	1	109.2931	3.490	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.5457	1.577	12	109.2931	3.490	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.3907	2.846	3	109.2931	3.490	20	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	109.0620	0.989	2	110.1091	6.393	8	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	110.4582	2.858	6	110.1091	6.393	8	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	109.7400	0.000	1	107.9987	2.739	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.4460	0.000	1	107.9987	2.739	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.8100	0.000	1	107.9987	2.739	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	111.5010	0.165	2	111.2225	6.427	6	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	112.8280	0.146	2	111.2225	6.427	6	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	109.3385	4.436	2	111.2225	6.427	6	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.4413	0.145	3	110.4413	0.021	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	106.7045	0.401	2	106.7045	0.161	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	107.6335	0.247	2	107.6335	0.061	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.1660	0.652	2	110.1660	0.425	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]HH)	107.1165	0.268	2	107.1165	0.072	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]HH)	109.4300	0.000	1	109.4300	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	110.6130	0.100	2	110.6130	0.010	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(C[6]C[6]2H)(CH3)	109.0660	0.000	1	109.0660	0.000	1	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.2600	0.335	2	111.2600	0.112	2	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8943	0.428	3	108.8943	0.183	3	109.3226	5.071	442	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.6560	0.000	1	109.6560	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)2	106.1180	0.000	1	106.1180	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.5685	1.320	4	108.5685	1.742	4	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.1090	0.000	1	107.2605	5.379	24	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.4230	0.000	1	107.2605	5.379	24	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.0327	2.286	22	107.2605	5.379	24	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)2	107.4370	0.000	1	107.4370	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	105.7790	0.000	1	107.8629	5.144	63	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.3480	0.000	1	107.8629	5.144	63	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.8890	0.000	1	107.8629	5.144	63	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.8558	2.240	60	107.8629	5.144	63	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.9775	1.900	2	112.9775	3.610	2	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.0970	1.618	4	111.0970	2.617	4	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.5180	0.000	1	108.5180	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.8970	0.000	1	109.4783	5.114	7	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.2418	2.381	6	109.4783	5.114	7	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.3810	0.000	1	108.3810	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.8710	1.040	4	108.8710	1.081	4	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.4845	1.150	2	111.4845	1.324	2	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.4570	0.000	1	111.4570	0.000	1	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.7055	1.210	2	110.7055	1.464	2	108.2374	5.719	118	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	O(C[6]C[6]2H)(PC[6a]2Ru)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]2Ru)	109.7685	1.223	4	109.7685	1.495	4	109.1399	2.971	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(PC[6a]2C)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PC[6a]2C)	111.0905	1.187	2	111.0905	1.410	2	109.1399	2.971	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PO3)	108.5413	1.884	3	108.5413	3.551	3	109.1399	2.971	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PO3)	108.8170	0.000	1	108.8170	0.000	1	109.1399	2.971	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HO)2(OP)(H)	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(PC[6a]2C)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PC[6a]2C)	106.9915	0.296	2	106.9915	0.088	2	109.1399	2.971	12	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	105.3620	0.000	1	105.3620	0.000	1	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	105.7930	0.000	1	105.7930	0.000	1	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	109.8750	0.000	1	107.9720	7.243	2	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.0690	0.000	1	107.9720	7.243	2	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SCOO)	108.9745	0.873	2	108.9745	0.763	2	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SCOO)	108.5490	0.000	1	108.5490	0.000	1	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]2H)(SCOO)	110.4770	0.000	1	110.4770	0.000	1	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)2(OS)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SCOO)	107.2420	0.679	4	107.2420	0.461	4	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HO)2(OS)(H)	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	107.8670	3.059	2	107.8670	9.357	2	107.7697	3.116	14	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	107.8730	1.939	2	107.8730	3.759	2	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	108.6740	0.000	1	108.6740	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	106.7570	0.000	1	106.7570	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.5430	0.000	1	109.5430	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.2210	0.000	1	110.2210	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.5310	0.000	1	109.5310	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.4930	0.000	1	109.8944	0.404	5	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	109.9947	0.687	4	109.8944	0.404	5	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	110.1722	1.373	4	110.1722	1.884	4	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	110.9470	0.000	1	110.9470	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	110.8440	0.000	1	110.0256	0.689	5	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	109.8210	0.800	4	110.0256	0.689	5	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	110.1343	0.204	3	110.1343	0.042	3	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HO)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	111.8030	0.000	1	111.8030	0.000	1	109.7659	1.545	26	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	104.3800	0.000	1	104.3800	0.000	1	104.3800	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.9950	0.000	1	107.9950	0.000	1	108.5750	0.261	3	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8650	0.132	2	108.8650	0.017	2	108.5750	0.261	3	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2O)(SiC3)	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	109.0429	5.169	775	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	110.9814	4.011	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.5185	0.080	2	108.5185	0.006	2	108.5185	0.006	2	110.9814	4.011	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	110.9814	4.011	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	113.0940	0.124	2	113.0940	0.015	2	112.1056	2.634	5	110.9814	4.011	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.4467	1.906	3	111.4467	3.631	3	112.1056	2.634	5	110.9814	4.011	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	C[6](C[6]C[6]HO)2(OC)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OC)2{4|Br<1>,1|C<3>}	O(C[6]C[6]2H)(CH3)	109.8315	5.157	2	109.8315	26.594	2	109.8315	26.594	2	109.8315	26.594	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	110.8300	0.132	2	110.8300	0.017	2	110.8300	0.017	2	110.8300	0.017	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:2:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	110.2955	1.422	2	110.2955	2.022	2	110.2955	2.022	2	110.2955	2.022	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6,6]C[6]H)(H)	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	O(C[6]C[3,6]C[6]H)(H)	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	113.0965	1.722	2	113.0965	2.965	2	112.2520	5.868	4	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,3x6]HO)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	111.4075	3.433	2	111.4075	11.786	2	112.2520	5.868	4	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.0920	0.000	1	109.0920	0.000	1	109.0447	1.769	7	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	107.5590	0.000	1	107.5590	0.000	1	109.0447	1.769	7	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	O(C[6]C[6,6]C[6]H)(H)	111.3680	0.000	1	111.3680	0.000	1	109.0447	1.769	7	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	109.0877	0.994	3	109.0877	0.988	3	109.0447	1.769	7	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.0310	0.000	1	108.0310	0.000	1	109.0447	1.769	7	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6,6]C[6]H)(H)	107.1110	0.000	1	107.1110	0.000	1	106.7800	0.219	2	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6,6]C[6]H)(H)	106.4490	0.000	1	106.4490	0.000	1	106.7800	0.219	2	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	114.5640	0.000	1	112.9823	1.120	10	112.9823	1.120	10	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OCu2)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	112.8066	0.955	9	112.9823	1.120	10	112.9823	1.120	10	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2975	4.569	2	112.2975	20.872	2	111.4020	12.842	3	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.6110	0.000	1	109.6110	0.000	1	111.4020	12.842	3	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.5540	0.000	1	111.0533	1.041	4	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	110.5530	0.244	3	111.0533	1.041	4	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.2060	0.000	1	108.9870	0.096	2	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|I<1>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.7680	0.000	1	108.9870	0.096	2	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.3740	0.710	3	108.3740	0.504	3	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.9470	0.000	1	108.9470	0.000	1	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.6125	1.777	2	108.6125	3.158	2	109.4567	2.111	12	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.8283	0.868	3	111.8283	0.754	3	111.8283	0.754	3	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OPtH)(H){1|C<4>,1|O<2>,1|O<3>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6150	0.000	1	110.6150	0.000	1	109.1280	4.422	2	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)2(OH)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OPtH)(H){1|H<1>,1|O<3>,2|C<4>}	O(C[6]C[6]2H)(H)	107.6410	0.000	1	107.6410	0.000	1	109.1280	4.422	2	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.7682	3.621	4	108.7682	13.108	4	108.8004	8.502	8	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	107.7577	1.778	3	107.7577	3.160	3	108.8004	8.502	8	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[6]2H)(H)	112.0570	0.000	1	112.0570	0.000	1	108.8004	8.502	8	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.0250	0.000	1	112.0250	0.000	1	112.0250	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	O(C[6]C[6]2H)(H)	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9340	0.584	2	109.9340	0.341	2	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.8200	0.000	1	111.8200	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.0970	0.000	1	111.0970	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.8630	0.000	1	107.8630	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.3370	0.311	2	110.8036	1.956	8	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.9990	1.721	3	110.8036	1.956	8	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2527	1.743	3	110.8036	1.956	8	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7710	3.486	2	109.7710	12.152	2	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.9550	0.000	1	111.9550	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.1250	0.000	1	108.1250	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8350	3.055	2	107.8350	9.331	2	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.3880	0.000	1	109.3880	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.4480	0.000	1	108.4480	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.4415	2.235	2	109.4415	4.996	2	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1565	3.161	2	109.1565	9.995	2	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.2800	0.000	1	107.2800	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	112.3470	0.000	1	112.3470	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	104.0810	0.000	1	104.0810	0.000	1	109.6825	4.871	28	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.0500	3.176	2	110.0500	10.089	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7440	0.000	1	109.7440	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5860	0.000	1	110.5860	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	108.6080	0.000	1	108.6080	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(H)	110.1672	1.098	8	110.1672	1.205	8	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(H)	110.6670	0.000	1	110.6670	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.2030	0.311	2	106.2030	0.097	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.4960	0.000	1	107.4960	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.1160	0.000	1	112.1160	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9697	1.358	3	111.9697	1.844	3	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.7720	0.421	2	106.7720	0.178	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2433	2.261	4	110.2433	5.112	4	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4510	1.138	2	106.4510	1.296	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	106.8190	0.000	1	106.8190	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	O(C[6]C[6]2H)(H)	106.6850	0.277	2	106.6850	0.077	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.2032	0.764	6	110.2032	0.583	6	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	107.2385	0.446	2	107.2385	0.199	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.8410	0.000	1	110.8410	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.9955	0.285	2	109.9955	0.081	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.0137	1.499	10	109.0137	2.248	10	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	111.0260	0.000	1	111.0260	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	110.2820	0.000	1	110.2820	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	112.7670	0.707	4	112.7670	0.500	4	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.1750	0.274	2	111.1750	0.075	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.8410	0.000	1	107.8410	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NOO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.9840	1.834	2	108.9840	3.364	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	110.0605	3.393	2	110.0605	11.515	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	108.6030	0.276	2	108.6030	0.076	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9240	0.000	1	107.9240	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.6750	0.410	2	109.6750	0.168	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.5863	0.657	3	110.5863	0.431	3	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	107.9885	1.361	2	107.9885	1.853	2	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2000	0.000	1	110.2000	0.000	1	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2670	1.332	8	111.4951	1.053	14	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	111.7992	0.250	6	111.4951	1.053	14	109.8598	3.807	91	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(C[6]C[6]2H)(H)	111.8240	0.000	1	114.2073	10.891	3	114.2073	10.891	3	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6]2H)(H)	115.3990	3.642	2	114.2073	10.891	3	114.2073	10.891	3	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6]2H)(H)	111.4980	0.000	1	111.4980	0.000	1	109.4428	4.452	4	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6]2H)(H)	111.0270	0.000	1	111.0270	0.000	1	109.4428	4.452	4	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6]2H)(H)	107.6230	0.000	2	107.6230	0.000	2	109.4428	4.452	4	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(OCu2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	114.0000	0.781	4	114.0000	0.610	4	111.9419	6.254	10	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(OCu2)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(OCu2)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4783	1.820	4	111.4783	3.313	4	111.9419	6.254	10	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(ONiH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.7530	2.524	2	108.7530	6.372	2	111.9419	6.254	10	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	110.1743	5.185	194	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	107.4530	0.000	1	107.4530	0.000	1	107.6260	0.060	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	107.7990	0.000	1	107.7990	0.000	1	107.6260	0.060	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCCH)	107.0130	0.000	1	107.0130	0.000	1	107.5380	0.551	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	108.0630	0.000	1	108.0630	0.000	1	107.5380	0.551	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	105.8925	0.327	2	105.8925	0.107	2	105.8925	0.107	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)2	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.3785	0.011	2	106.3785	0.000	2	106.3785	0.000	2	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	108.7480	0.000	1	108.2070	0.585	2	108.4783	0.514	3	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	107.6660	0.000	1	108.2070	0.585	2	108.4783	0.514	3	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCO)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	109.0210	0.000	1	109.0210	0.000	1	108.4783	0.514	3	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]HH)	109.0120	0.000	1	109.0120	0.000	1	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.8470	0.000	1	111.8470	0.000	1	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	109.0900	2.118	2	109.0900	4.488	2	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.5300	0.000	1	106.5300	0.000	1	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)2(NCS)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8320	0.000	1	108.8320	0.000	1	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	105.9090	0.000	1	105.9090	0.000	1	108.6157	4.543	7	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:P-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	O(C[6]C[6]2H)(PC[6a]OO)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(PC[6a]OO)	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	113.0880	1.929	2	113.0880	3.721	2	110.0285	13.736	4	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.1210	0.000	1	107.1210	0.000	1	110.0285	13.736	4	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	106.8170	0.000	1	106.8170	0.000	1	110.0285	13.736	4	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[6]HO)2(OCoC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]HO)2(OCoC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	108.6487	6.859	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	105.9020	0.000	1	105.9020	0.000	1	105.9020	0.000	1	108.3882	4.015	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	108.0220	2.188	2	108.0220	4.786	2	108.8854	3.165	5	108.3882	4.015	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(COO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.0760	0.000	1	108.0760	0.000	1	108.8854	3.165	5	108.3882	4.015	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HO)2(COO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.2740	0.000	1	111.2740	0.000	1	108.8854	3.165	5	108.3882	4.015	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0330	0.000	1	109.0330	0.000	1	108.8854	3.165	5	108.3882	4.015	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	109.2360	1.076	3	108.4200	3.436	4	108.4200	3.436	4	108.0926	3.113	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	105.9720	0.000	1	108.4200	3.436	4	108.4200	3.436	4	108.0926	3.113	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:Si-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	108.0926	3.113	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)2{1|C<3>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	112.3930	4.141	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	112.3930	4.141	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HO)(COO)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	108.0983	4.252	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	105.8270	0.000	1	106.7490	1.700	2	106.7490	1.700	2	108.0983	4.252	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	107.6710	0.000	1	106.7490	1.700	2	106.7490	1.700	2	108.0983	4.252	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:3:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:P-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(PO3)	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.0983	4.252	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]H)(H)	112.1010	0.000	1	112.1010	0.000	1	111.5953	1.706	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	110.1120	0.000	1	110.1120	0.000	1	111.5953	1.706	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	112.5730	0.000	1	112.5730	0.000	1	111.5953	1.706	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	110.9705	3.895	2	110.9705	15.175	2	110.9705	15.175	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	110.4190	0.000	1	110.4190	0.000	1	110.9985	0.672	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.5780	0.000	1	111.5780	0.000	1	110.9985	0.672	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	105.7230	0.000	1	105.7230	0.000	1	105.7230	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.6320	0.163	2	108.6320	0.026	2	108.6320	0.026	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.7780	0.993	2	108.7780	0.986	2	109.7666	1.247	5	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.2320	0.000	1	110.2320	0.000	1	109.7666	1.247	5	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.9350	0.000	1	109.9350	0.000	1	109.7666	1.247	5	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	111.1100	0.000	1	111.1100	0.000	1	109.7666	1.247	5	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.3830	0.533	2	110.3830	0.284	2	110.3830	0.284	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	108.7230	0.000	1	108.7230	0.000	1	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.9620	0.000	1	109.9620	0.000	1	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6,6]C[6]H)(H)	112.1260	0.000	1	113.8283	2.186	3	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	114.6795	0.156	2	113.8283	2.186	3	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.7844	0.759	5	111.7844	0.575	5	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	109.3780	0.000	1	109.3780	0.000	1	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.0990	0.000	1	111.0990	0.000	1	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	110.1915	2.548	2	109.6793	4.032	3	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	108.6550	0.000	1	109.6793	4.032	3	111.2405	3.934	15	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[3x6]-4:O-2:H-1:	C[5,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H)	O(C[6]C[3x6]C[6]H)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,5]C[5,5,6,6]C[5]2)(C[6]C[3x6]HO)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,5|C<4>,5|H<1>}	O(C[6]C[3x6]C[6]H)(H)	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	106.4490	0.000	1	106.4490	0.000	1	108.7615	10.695	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.0740	0.000	1	111.0740	0.000	1	108.7615	10.695	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.3210	0.000	1	111.3210	0.000	1	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.2780	0.000	1	112.2780	0.000	1	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.7840	0.000	1	108.7840	0.000	1	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	113.9340	0.000	1	113.9340	0.000	1	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	110.7855	0.698	2	110.7855	0.487	2	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4595	1.328	4	110.4595	1.765	4	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)2(OH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.9380	2.005	2	110.9380	4.021	2	110.9668	2.392	12	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	107.9260	0.000	1	107.9260	0.000	1	109.8603	3.213	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	110.1900	0.000	1	110.1900	0.000	1	109.8603	3.213	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5]C[5,6a]N[5,5a]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,4|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	111.4650	0.000	1	111.4650	0.000	1	109.8603	3.213	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	112.3440	0.000	1	112.3440	0.000	1	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	112.4150	0.000	1	112.4150	0.000	1	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.2430	0.000	1	110.2343	4.600	4	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	108.5210	0.000	1	110.2343	4.600	4	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.2260	0.000	1	110.2343	4.600	4	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.9470	0.000	1	110.2343	4.600	4	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	113.2210	0.000	1	112.6700	0.309	3	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.3945	0.402	2	112.6700	0.309	3	111.5229	3.310	9	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	113.3720	0.320	2	113.3720	0.102	2	113.3720	0.102	2	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6]2H)(H)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.3670	0.000	1	113.3670	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	106.9180	0.000	1	106.9180	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	108.7970	0.000	1	108.7970	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.0630	0.000	1	111.0630	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	109.3210	0.000	1	109.3210	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.5100	0.000	1	108.5100	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.9530	0.000	1	109.0847	1.011	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	109.3180	0.000	1	109.0847	1.011	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	107.9830	0.000	1	109.0847	1.011	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.5990	0.000	1	111.5990	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.4520	0.000	1	110.4520	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	109.8170	2.111	2	109.8170	4.458	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	110.8050	0.000	1	110.8050	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	113.9490	0.000	1	113.9490	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	106.5840	0.000	1	106.5840	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	112.7770	0.431	2	112.7770	0.186	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8615	0.538	2	107.8615	0.290	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.9455	0.527	2	109.9455	0.278	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3060	0.445	3	109.3060	0.198	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.9240	0.000	1	108.9240	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	107.5880	0.000	1	107.5880	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	107.8150	0.000	1	110.6790	6.276	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.1110	0.498	2	110.6790	6.276	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.2560	0.000	1	111.2560	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.7337	0.165	3	108.7337	0.027	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	113.1835	0.227	2	113.1835	0.052	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.5560	0.000	1	110.5560	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.0330	0.000	1	107.0330	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.5730	0.000	1	110.5730	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	108.0870	0.000	1	108.0870	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.4300	0.000	1	112.4300	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	109.3220	1.837	3	109.3220	3.375	3	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	110.3175	2.121	2	110.3175	4.497	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.0175	2.041	2	111.0175	4.167	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	110.2740	0.000	1	110.2740	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.4460	0.199	4	111.4460	0.040	4	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5090	0.000	1	111.5090	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	111.7073	1.506	6	111.7073	2.269	6	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	109.1787	2.491	4	110.7272	4.414	13	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	112.0960	1.326	6	110.7272	4.414	13	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	109.3880	0.840	2	110.7272	4.414	13	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	111.3870	0.000	1	110.7272	4.414	13	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	112.2500	0.000	1	112.2500	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	107.9240	0.339	2	107.9240	0.115	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	110.7405	0.391	2	110.7405	0.153	2	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	109.8560	0.000	1	109.4080	4.634	5	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(OH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	109.2960	2.469	4	109.4080	4.634	5	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8450	0.000	1	110.8450	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	110.9660	0.000	1	110.9660	0.000	1	110.2908	3.667	85	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	O(C[6]C[6]2H)(H)	109.0770	1.046	3	109.0770	1.095	3	109.0770	1.095	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.3710	0.000	1	112.3710	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	106.5960	0.000	1	106.5960	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	106.1790	0.000	1	106.1790	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	105.9860	0.000	1	105.9860	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	110.6410	0.000	1	110.6410	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7865	1.348	4	109.4839	1.574	10	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.2822	1.273	6	109.4839	1.574	10	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	106.6610	0.000	1	106.6610	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.9270	0.000	1	109.9270	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NPdHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	107.4710	0.000	1	107.4710	0.000	1	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.7785	1.418	2	109.7785	2.010	2	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HN)2(OH)(H)	C[6](C[6]C[6]HO)2(NH3)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(NH3)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	111.1442	1.410	4	111.1442	1.989	4	109.3669	3.757	24	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.7550	0.000	1	110.7550	0.000	1	112.3947	2.040	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	113.2145	0.218	2	113.2145	0.048	2	112.3947	2.040	3	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	105.9970	0.000	1	108.1060	3.947	3	107.6995	3.292	4	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.1605	1.105	2	108.1060	3.947	3	107.6995	3.292	4	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4800	0.000	1	106.4800	0.000	1	107.6995	3.292	4	110.2944	3.952	186	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6,6]C[6]H)(SOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SOO)	106.5430	0.266	2	106.5430	0.071	2	106.5430	0.071	2	106.9113	0.442	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]O)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	106.9113	0.442	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CHHO)	109.9740	0.000	1	109.9740	0.000	1	108.8845	2.374	2	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	107.7950	0.000	1	107.7950	0.000	1	108.8845	2.374	2	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(SiC3)	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CHHO)	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(SCOO)	108.0075	0.059	2	108.0075	0.003	2	108.0075	0.003	2	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6]2H)(SiC3)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[6]2H)(SiC3)	112.2532	1.046	6	112.2532	1.093	6	112.2532	1.093	6	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CH3)	108.4520	0.004	2	108.4520	0.000	2	108.4520	0.000	2	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SO3)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6]2H)(SO3)	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	106.2266	0.779	7	106.0436	0.788	8	106.3764	1.173	10	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	104.7630	0.000	1	106.0436	0.788	8	106.3764	1.173	10	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	O(C[6]C[6]2H)(CH3)	107.7075	0.781	2	107.7075	0.611	2	106.3764	1.173	10	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	105.2370	0.000	2	105.6390	0.215	4	106.7346	6.163	5	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	106.0410	0.000	2	105.6390	0.215	4	106.7346	6.163	5	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(CHHO)	111.1170	0.000	1	111.1170	0.000	1	106.7346	6.163	5	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	107.5847	0.988	4	107.5847	0.975	4	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	106.2680	0.000	1	106.2680	0.000	1	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	106.8620	0.487	3	106.8620	0.237	3	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	104.2310	0.000	1	104.2310	0.000	1	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	104.6270	0.000	1	104.6270	0.000	1	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5]2Fe)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5]2Fe)(C[6]C[6]2H)	106.1060	0.000	1	106.1060	0.000	1	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	107.1310	0.000	1	107.1310	0.000	1	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	107.0953	1.074	26	107.0953	1.153	26	106.9412	1.308	38	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CH3)	105.7580	0.000	1	105.7580	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	107.2995	0.019	2	107.2995	0.000	2	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	106.7340	0.000	1	106.7340	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	107.1360	0.000	1	107.1360	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]HH)	106.5850	1.546	4	106.5850	2.390	4	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	106.6950	0.335	5	106.6950	0.112	5	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CN[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5]HH)	108.1108	0.664	5	108.1108	0.441	5	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CN[5a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5a]HH)	107.4030	0.806	2	107.4030	0.650	2	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(CP[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CP[5]HH)	110.8540	0.000	1	110.8540	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCCH)	112.7873	0.445	4	112.7873	0.198	4	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.1620	0.000	1	108.1620	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	110.2045	0.609	2	110.2045	0.371	2	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.1810	0.000	1	108.1810	0.000	1	108.2719	4.967	30	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.4427	0.080	3	108.4427	0.006	3	107.9727	0.333	6	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.3190	0.352	2	107.3190	0.124	2	107.9727	0.333	6	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)2	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)2	107.8700	0.000	1	107.8700	0.000	1	107.9727	0.333	6	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PCCO)	107.2420	0.010	2	107.2420	0.000	2	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]2B)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]2B)	107.5689	0.353	7	107.5689	0.125	7	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]2Pd)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]2Pd)	107.2600	0.359	2	107.2600	0.129	2	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]CO)	108.5996	0.445	12	108.5996	0.198	12	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]NO)	108.9797	1.105	4	108.9797	1.221	4	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]OS)	108.5855	0.291	2	108.5855	0.084	2	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PC[6a]PtO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]PtO)	109.3150	0.000	1	109.3150	0.000	1	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PFOS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PFOS)	107.3870	0.000	1	107.3870	0.000	1	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO3)	107.7820	0.573	3	107.7820	0.329	3	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PPdCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPdCO)	108.9120	0.000	1	108.9120	0.000	1	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(PPdNN)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPdNN)	108.1345	0.118	2	108.1345	0.014	2	108.2027	0.596	37	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	105.1530	0.000	1	105.1530	0.000	1	106.2037	0.923	3	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	106.4210	0.000	1	106.4210	0.000	1	106.2037	0.923	3	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	107.0370	0.000	1	107.0370	0.000	1	106.2037	0.923	3	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	108.7673	1.304	6	108.7673	1.701	6	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	109.1150	0.000	1	109.1150	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]HO)2(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.7580	0.000	1	108.7580	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	110.3560	0.000	1	110.3560	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	107.5740	0.000	1	107.5740	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	111.0310	0.000	1	111.0310	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(SiSi3)	107.9210	0.000	1	108.7933	0.610	3	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiSi3)	109.2295	0.279	2	108.7933	0.610	3	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(SiSi3)	110.3840	0.000	1	109.4148	0.323	5	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	O(C[6]C[6]2H)(SiSi3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiSi3)	109.1725	0.198	4	109.4148	0.323	5	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	109.6850	0.000	1	109.6850	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	111.3690	1.025	2	110.9218	0.619	4	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	110.4745	0.064	2	110.9218	0.619	4	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	109.1440	0.000	1	109.1440	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	108.3430	0.000	1	108.3430	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]CH)2(OSi)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	108.6900	0.000	1	108.6900	0.000	1	109.3497	1.336	27	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	P-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(PC[6a]C[6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(PC[6a]C[6]O)(C[6]C[6]2H)	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	P[5]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	O(P[5]N[5,6]2S)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	O(P[5]N[5,6]2S)(C[6]C[6]2H)	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	104.7700	0.000	1	104.7700	0.000	1	104.7700	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]2H)(PC[6]2Pd)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6]2Pd)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	108.1306	3.321	184	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	107.4035	0.359	2	107.4035	0.129	2	107.4035	0.129	2	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.3430	0.000	1	109.0093	1.356	3	109.2977	1.842	6	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	108.3425	0.209	2	109.0093	1.356	3	109.2977	1.842	6	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	107.6030	0.000	1	107.6030	0.000	1	109.2977	1.842	6	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	110.5775	0.319	2	110.5775	0.102	2	109.2977	1.842	6	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	O(C[6]C[6]2H)(H)	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	110.8600	0.891	3	110.8600	0.793	3	110.8600	0.793	3	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.5890	0.000	1	111.5890	0.000	1	110.5853	3.466	3	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.7300	0.000	1	111.7300	0.000	1	110.5853	3.466	3	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6]2H)(H)	108.4370	0.000	1	108.4370	0.000	1	110.5853	3.466	3	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.4410	0.000	1	109.4410	0.000	1	110.6860	3.909	8	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	O(C[6]C[6]2H)(H)	111.5657	0.628	3	111.5657	0.395	3	110.6860	3.909	8	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.1420	0.000	1	112.1420	0.000	1	110.6860	3.909	8	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.4870	0.000	1	109.7360	8.938	3	110.6860	3.909	8	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.8605	3.644	2	109.7360	8.938	3	110.6860	3.909	8	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.7510	0.750	2	109.7510	0.562	2	109.7510	0.562	2	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5020	0.000	1	111.5020	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	111.5980	0.158	2	111.5980	0.025	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.7088	1.473	5	110.7088	2.171	5	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	111.1650	0.000	1	110.1060	2.243	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	109.0470	0.000	1	110.1060	2.243	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.2270	0.000	1	112.2270	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.8200	0.608	2	110.8200	0.370	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	111.2830	1.820	3	111.2830	3.314	3	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.2660	0.000	1	112.2660	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.2580	0.000	1	110.2580	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.4980	0.324	2	110.4980	0.105	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	111.3375	0.694	2	111.3375	0.481	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9840	0.000	1	109.9840	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.3960	0.000	1	109.3960	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.1975	0.612	2	108.1975	0.374	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.4900	0.000	1	108.4900	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	113.8160	1.771	2	113.8160	3.135	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.3950	0.000	1	108.3950	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	109.2440	1.807	4	109.2440	3.265	4	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	106.4325	1.442	2	106.4325	2.079	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	109.7695	3.252	2	109.7695	10.575	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	O(C[6]C[6]2H)(H)	109.1905	1.677	2	109.1905	2.811	2	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	112.0417	0.806	3	112.0417	0.650	3	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	113.2070	0.000	1	113.2070	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	108.9550	0.000	1	108.9550	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)2(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	110.2200	0.000	1	110.2200	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	112.9130	0.000	1	112.9130	0.000	1	110.4646	3.724	47	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	110.3329	3.447	74	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	111.5140	0.000	1	111.5140	0.000	1	109.4967	3.137	3	107.8100	3.544	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.4880	0.413	2	108.4880	0.171	2	109.4967	3.137	3	107.8100	3.544	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:Si-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	106.5450	0.130	4	106.5450	0.017	4	106.5450	0.017	4	107.8100	3.544	7	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.2330	0.000	1	108.2330	0.000	1	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9920	0.000	2	111.9920	0.000	2	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.0890	1.537	3	110.0890	2.361	3	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.9940	0.000	1	111.7531	1.370	7	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.7130	1.277	6	111.7531	1.370	7	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	109.8830	0.000	1	110.5500	0.890	2	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.2170	0.000	1	110.5500	0.890	2	111.0571	2.162	15	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5120	1.440	5	111.5120	2.073	5	110.9307	3.686	6	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	108.0240	0.000	1	108.0240	0.000	1	110.9307	3.686	6	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.0596	2.355	22	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	107.5592	3.819	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	107.0915	0.261	2	107.0915	0.068	2	107.0915	0.068	2	107.5592	3.819	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	107.5592	3.819	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	107.5592	3.819	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	106.6900	2.519	4	106.6900	6.347	4	106.6900	6.347	4	107.5592	3.819	9	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]H)(H)	113.1260	0.000	1	113.1260	0.000	1	113.1260	0.000	1	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(H)	111.4015	1.791	2	111.4015	3.208	2	111.4015	3.208	2	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	O(C[6]C[4,6]C[6]H)(H)	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.8565	0.264	2	110.8565	0.070	2	110.8565	0.070	2	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.8060	0.000	1	112.7825	1.907	2	112.4420	0.633	5	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	113.7590	0.000	1	112.7825	1.907	2	112.4420	0.633	5	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	112.3300	0.399	2	112.3300	0.159	2	112.4420	0.633	5	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	111.9850	0.000	1	111.9850	0.000	1	112.4420	0.633	5	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	112.8460	0.000	1	112.8460	0.000	1	110.6993	4.686	4	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	109.9837	1.989	3	109.9837	3.957	3	110.6993	4.686	4	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.3396	1.561	5	111.3396	2.438	5	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	108.8885	0.148	2	108.8885	0.022	2	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	111.2080	0.000	1	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.8020	0.000	1	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.8290	0.000	1	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	107.8130	0.000	1	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.2760	0.000	1	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.2761	1.789	29	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.0366	1.951	5	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.5765	1.732	6	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	111.2330	1.502	56	110.8280	2.789	101	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	107.4010	0.000	1	109.8147	6.592	10	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	110.0829	2.570	9	109.8147	6.592	10	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	110.9130	0.000	1	110.1943	0.667	10	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	110.1144	0.824	9	110.1943	0.667	10	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.9625	0.506	4	108.9625	0.256	4	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	108.5130	0.000	1	108.5130	0.000	1	110.6207	2.965	133	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	111.5345	0.151	2	111.5345	0.023	2	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	112.3330	0.000	1	112.3330	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	112.5750	0.000	1	112.5750	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	109.9920	0.000	1	109.9920	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	108.6060	0.000	1	108.6060	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	108.2170	0.000	1	108.2170	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	112.2370	0.000	1	112.2370	0.000	1	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	109.0350	2.619	2	109.0350	6.860	2	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	109.9425	3.055	2	109.9425	9.336	2	110.4153	3.902	12	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	O(C[6]C[6]2H)(H)	112.3400	0.000	1	112.3400	0.000	1	112.3400	0.000	1	110.6851	3.032	162	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(NOO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(NOO)	105.5660	0.000	1	105.5660	0.000	1	105.5660	0.000	1	105.5660	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC3)	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	107.8465	0.110	4	107.8465	0.012	4	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC3)	110.2850	0.000	1	110.0437	0.047	3	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC3)	109.9230	0.078	2	110.0437	0.047	3	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCCO)	110.4293	0.693	3	110.4293	0.480	3	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	108.3780	0.000	1	108.3780	0.000	1	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CHHO)	108.6090	0.000	1	108.6090	0.000	1	109.1493	1.462	12	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	109.8147	1.200	3	109.8147	1.440	3	108.3431	2.548	7	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.2395	0.588	4	107.2395	0.346	4	108.3431	2.548	7	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	110.2620	0.150	3	110.2620	0.022	3	109.8438	0.427	5	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	109.2165	0.593	2	109.2165	0.352	2	109.8438	0.427	5	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	108.8610	0.000	1	108.8610	0.000	1	109.6045	1.106	2	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(CC3)	110.3480	0.000	1	110.3480	0.000	1	109.6045	1.106	2	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	O(C[6]C[6]2H)(SiC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	109.3051	1.844	31	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:1:	6:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:H-1:	B[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2	O(C[6]C[6]2H)(CH3)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HO)(H)2{1|C<4>,5|B<6>,6|H<1>}	O(C[6]C[6]2H)(CH3)	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H){2|F<1>,3|C<3>,4|H<1>}	O(C[6]C[6]2O)(H)	110.6515	3.526	2	110.6515	12.435	2	110.6515	12.435	2	110.6515	12.435	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2C)(H)	104.9990	0.000	1	104.9990	0.000	1	104.9990	0.000	1	104.9990	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2O)(CCHH)	107.6750	3.818	2	107.6750	14.580	2	107.6750	14.580	2	107.6750	14.580	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6]2O)(CH3)	108.0805	4.307	2	108.0805	18.550	2	108.0805	18.550	2	108.3815	18.915	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6]2O)(CH3)	107.9270	7.532	2	107.9270	56.733	2	108.5320	25.252	4	108.3815	18.915	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	3:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6]2O)(CH3)	109.1370	4.190	2	109.1370	17.559	2	108.5320	25.252	4	108.3815	18.915	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]HH)2(OC)2	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6]2O)(CH3)	108.3250	5.235	4	108.5251	19.336	12	108.5251	19.336	12	108.5251	19.336	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]O[6]HH)2(OC)2	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	O(C[6]C[6]2O)(CH3)	108.6251	4.313	8	108.5251	19.336	12	108.5251	19.336	12	108.5251	19.336	12	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2O)(H)	108.8315	1.827	4	108.8315	3.338	4	109.0248	2.109	6	108.8612	2.772	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2O)(H)	109.4115	0.291	2	109.4115	0.084	2	109.0248	2.109	6	108.8612	2.772	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]HH)2(OH)2	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]HH)2(OH)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	O(C[6]C[6]2O)(H)	108.6158	2.161	4	108.6158	4.668	4	108.6158	4.668	4	108.8612	2.772	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]O)(CH3)	108.6295	7.068	2	108.6295	49.950	2	108.6295	49.950	2	110.6098	30.475	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:4:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6,6]C[6]O)(CH3)	117.5545	1.026	2	117.5545	1.053	2	117.5545	1.053	2	110.6098	30.475	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|O<2>}	O(C[6]C[6]2O)(CH3)	109.5525	5.205	2	109.5525	27.092	2	108.9550	20.509	6	110.6098	30.475	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{3|C<3>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2O)(CH3)	108.6562	4.979	4	108.6562	24.793	4	108.9550	20.509	6	110.6098	30.475	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:2:2:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:N[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	O(C[6]C[6]2O)(CH3)	108.9525	4.429	2	108.9525	19.613	2	108.9525	19.613	2	108.9525	19.613	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:3:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2O)(CCHH)	108.5330	5.627	2	108.5330	31.665	2	108.5330	31.665	2	108.5330	31.665	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[3]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	O(C[6]C[3]C[6]O[6])(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[3]C[6]O[6])(H)	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]O)(H)	110.2935	3.020	2	110.2935	9.121	2	110.2935	9.121	2	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2	O(C[6]C[5]C[6]O[6])(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5]C[6]O[6])(H)	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.5155	2.908	2	108.5155	8.458	2	108.5155	8.458	2	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	109.1265	2.176	2	109.1265	4.734	2	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	111.6890	0.061	2	111.6890	0.004	2	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.5320	0.000	1	110.5320	0.000	1	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	107.7043	2.288	4	107.7043	5.233	4	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	107.7165	0.528	2	106.5298	1.977	4	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.3430	0.137	2	106.5298	1.977	4	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	106.3730	0.321	3	106.3730	0.103	3	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2C)(H)	108.6080	2.249	2	108.5559	3.592	53	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	108.5623	1.893	45	108.5559	3.592	53	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.4903	2.192	6	108.5559	3.592	53	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	111.0010	0.000	1	111.0010	0.000	1	108.4669	4.008	70	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[6]2O)(H)	104.8355	0.596	2	104.8355	0.355	2	104.8355	0.355	2	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)2(OH)2	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]FF)2(OH)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2{1|C<4>,4|F<1>}	O(C[6]C[6]2O)(H)	108.7185	2.260	8	108.7185	5.108	8	108.7185	5.108	8	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(H)	112.0540	0.291	2	112.0540	0.085	2	112.0540	0.085	2	108.5665	4.667	88	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2O)(OC)	113.2234	0.739	10	113.2234	0.546	10	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OC)(OO)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC)	108.0490	7.037	2	108.0490	49.521	2	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC)	108.7400	4.502	8	108.7400	20.270	8	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC[6])	108.2136	4.773	16	108.2136	22.780	16	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OH)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2O)(OH)	108.6137	5.913	4	108.6137	34.966	4	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(OSi)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2O)(OSi)	108.2370	6.153	4	108.2370	37.859	4	109.4789	21.859	44	109.4789	21.859	44	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5]C[6]O[6])(CH3)	105.0110	0.000	2	105.0110	0.000	2	105.0110	0.000	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(CCHH)	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CCHH)	107.2450	0.000	1	107.2450	0.000	1	109.2963	18.633	4	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2C)(CH3)	114.2910	0.000	1	114.2910	0.000	1	109.2963	18.633	4	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CC)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CC)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(CH3)	107.8245	4.734	2	107.8245	22.412	2	109.2963	18.633	4	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(CN)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2C)(SiC3)	110.6820	0.000	1	110.6820	0.000	1	109.5135	2.731	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)(CN)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(OSi)(CN){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(SiC3)	108.3450	0.000	1	108.3450	0.000	1	109.5135	2.731	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[6]2O)(CCHH)	114.7020	0.465	2	114.7020	0.216	2	114.7020	0.216	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2{1|H<1>,5|C<3>}	O(C[6]C[6]2O)(CCHH)	109.5025	5.723	2	109.5025	32.748	2	109.5025	32.748	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(OC)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	O(C[5]C[5]2H)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2O)	108.6845	6.048	2	108.6845	36.577	2	108.6845	36.577	2	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CCHH)	104.9765	0.573	2	104.9765	0.329	2	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2O)(CCHH)	108.9135	5.871	2	108.9135	34.470	2	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2O)(CCHH)	109.3780	5.787	2	109.3780	33.489	2	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2O)(CCHH)	103.4930	0.000	1	103.4930	0.000	1	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2O)(CH3)	113.6950	0.000	1	113.6950	0.000	1	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)(OO)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CH3)	109.7360	4.583	2	109.7360	21.008	2	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CCHH)	108.6370	3.949	4	108.6370	15.598	4	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CC[4,4]HH)	108.7318	4.078	8	108.7318	16.628	8	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	109.0085	4.525	4	109.0085	20.479	4	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	108.9421	4.081	8	108.9421	16.655	8	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|S<4>,4|H<1>}	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(C[6]C[6]2O)(CH3)	108.3610	4.975	4	108.3610	24.750	4	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2{1|Cu<4>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	108.4650	5.504	8	108.4650	30.293	8	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC[5])(OC)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	110.0910	6.860	2	110.0910	47.064	2	108.6774	18.137	48	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	O(C[6]C[6]2O)(SiCCO)	C[6](C[6]C[6]HH)2(OSi)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2O)(SiCCO)	109.2048	2.082	8	109.2048	4.334	8	109.2048	4.334	8	108.9315	16.046	71	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]O)(H)	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	O(C[6]C[5,6]C[6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]O[6])(H)	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]2C)(H)	106.4810	0.158	2	106.4810	0.025	2	106.4810	0.025	2	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	107.3260	0.161	2	107.3260	0.026	2	108.9448	2.228	5	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	110.0240	0.276	3	110.0240	0.076	3	108.9448	2.228	5	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H){1|C<3>,2|C<4>,2|F<1>,6|H<1>}	O(C[6]C[6]2O)(H)	109.3907	2.092	4	109.3907	4.378	4	109.3907	4.378	4	109.1488	4.924	13	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]O)(CH3)	104.0230	0.000	1	104.0230	0.000	1	104.0230	0.000	1	107.8526	20.145	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(CH3)	105.2160	0.000	1	105.2160	0.000	1	105.2160	0.000	1	107.8526	20.145	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2O)(CH3)	108.7035	4.489	2	108.7035	20.155	2	108.7035	20.155	2	107.8526	20.145	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)2	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HO)2(OC)2{4|Br<1>,1|C<3>}	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2O)(CH3)	109.0438	5.541	4	109.0438	30.708	4	109.0438	30.708	4	107.8526	20.145	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.1920	2.249	4	109.1920	5.056	4	109.1920	5.056	4	108.7614	3.804	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]OO)2(OH)2	C[6](C[6]C[6]OO)2(OH)2	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)2(OH)2{1|C<4>,4|O<2>}	C[6](C[6]C[6]OO)2(OH)2{1|C<4>,4|O<2>}	O(C[6]C[6]2O)(H)	108.6179	1.928	12	108.6179	3.718	12	108.6179	3.718	12	108.7614	3.804	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.4515	0.438	2	109.4515	0.192	2	109.4515	0.192	2	109.4515	0.192	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CCHH)	113.0050	0.000	1	113.0050	0.000	1	109.3155	27.225	2	108.3230	21.825	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCO)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CH3)	105.6260	0.000	1	105.6260	0.000	1	109.3155	27.225	2	108.3230	21.825	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2O)(CH3)	107.9615	2.401	2	107.9615	5.763	2	107.8268	26.315	4	108.3230	21.825	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:3:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2O)(CH3)	107.6920	8.550	2	107.6920	73.108	2	107.8268	26.315	4	108.3230	21.825	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.7083	1.945	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.5070	0.249	2	109.5070	0.062	2	109.5070	0.062	2	108.7083	1.945	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC)	104.2209	0.929	10	104.2209	0.862	10	104.2209	0.862	10	104.2209	0.862	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]O[6])(CH3)	105.5410	0.000	1	105.5410	0.000	1	105.5410	0.000	1	108.4292	13.485	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:C-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	O(C[6]C[6]2C)(SiC3)	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.4292	13.485	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(SiC3)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	108.4292	13.485	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2O)(CCHH)	108.6025	6.377	2	108.6025	40.671	2	108.6025	40.671	2	108.4292	13.485	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.8535	0.107	2	108.8535	0.011	2	108.8535	0.011	2	108.8535	0.011	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:2:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:C-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]C)(SiC3)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)2	106.2369	6.030	5	106.2369	36.357	5	105.2781	34.601	6	105.2781	34.601	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)2	100.4840	0.000	1	100.4840	0.000	1	105.2781	34.601	6	105.2781	34.601	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	109.2955	0.839	2	109.2955	0.704	2	109.2955	0.704	2	109.2955	0.704	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	105.5845	0.098	2	105.5845	0.010	2	105.5845	0.010	2	109.6782	9.982	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)2	111.4966	2.179	5	111.4966	4.749	5	111.4966	4.749	5	109.6782	9.982	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:2:4:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)2	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	109.6782	9.982	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	108.5080	0.000	1	108.5080	0.000	1	109.9077	1.549	3	109.9077	1.549	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.6075	0.400	2	110.6075	0.160	2	109.9077	1.549	3	109.9077	1.549	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	3:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O(C[6]C[6,6]C[6a]C[6])(H)	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	3:4:4:3:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO){3|C<3>,6|H<1>}	O(C[6]C[6]2C)(H)	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	3:4:4:4:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2{3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	107.0950	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2C)(H)	104.3870	0.000	1	104.3870	0.000	1	107.5952	4.790	4	107.8065	7.457	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.5730	0.772	2	108.5730	0.596	2	107.5952	4.790	4	107.8065	7.457	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	108.8480	0.000	1	108.8480	0.000	1	107.5952	4.790	4	107.8065	7.457	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	107.8065	7.457	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]2)(H)	104.8840	0.000	1	104.8840	0.000	1	104.8840	0.000	1	107.8065	7.457	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(SiC3)	111.6958	0.906	8	111.6958	0.822	8	111.6958	0.822	8	111.6958	0.822	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:3:4:3:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	O(C[6]C[3,6]C[6]2)(H)	106.0470	0.000	1	106.0470	0.000	1	108.7403	5.465	3	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	O(C[6]C[3,6]C[6]2)(H)	110.0870	0.219	2	110.0870	0.048	2	108.7403	5.465	3	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2{1|O<1>,2|N<3>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	112.0590	0.622	4	112.0590	0.386	4	112.0590	0.386	4	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	112.2410	0.000	1	111.5905	0.846	2	111.5905	0.846	2	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.9400	0.000	1	111.5905	0.846	2	111.5905	0.846	2	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	109.3240	0.000	1	109.3240	0.000	1	109.7930	4.847	6	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|H<1>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	109.2050	0.000	1	109.2050	0.000	1	109.7930	4.847	6	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<4>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	107.6440	0.000	2	107.6440	0.000	2	109.7930	4.847	6	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|S<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]C)(H)	112.4705	0.305	2	112.4705	0.093	2	109.7930	4.847	6	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6]2)(H)	104.0960	0.000	1	104.0960	0.000	1	104.0960	0.000	1	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	110.2635	0.110	2	110.2635	0.012	2	110.2635	0.012	2	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.8190	0.000	1	110.8190	0.000	1	108.1490	12.683	4	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]C)(H)	108.5895	4.233	2	108.5895	17.922	2	108.1490	12.683	4	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	104.5980	0.000	1	104.5980	0.000	1	108.1490	12.683	4	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6]2C)(H)	109.3680	0.707	2	109.4762	0.233	4	109.5606	3.857	8	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	109.5845	0.388	2	109.4762	0.233	4	109.5606	3.857	8	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.6450	2.958	4	109.6450	8.748	4	109.5606	3.857	8	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.0345	1.365	2	110.0345	1.864	2	110.0345	1.864	2	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	110.1865	3.423	4	110.1865	11.719	4	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2{1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6]2C)(H)	106.6550	0.000	1	106.6550	0.000	1	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	107.3545	2.723	2	107.3545	7.415	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.9810	0.000	1	110.9810	0.000	1	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	112.2705	1.466	2	112.2705	2.149	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	O(C[6]C[6]2C)(H)	107.6000	0.000	1	107.6000	0.000	1	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	110.3210	0.000	1	110.3210	0.000	1	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	108.2515	0.313	2	108.2515	0.098	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCC)(OH)	C[6](C[6]C[6]CO)2(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	111.0050	0.478	2	111.0050	0.228	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.1440	3.849	2	108.1440	14.819	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.8957	1.888	4	107.8957	3.565	4	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.8140	3.370	2	108.8140	11.357	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	108.7360	1.694	2	108.7360	2.870	2	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CRuC)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CRuC)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.2283	2.782	4	108.2283	7.739	4	108.9983	5.919	30	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	109.3793	5.798	63	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]C)(SiC3)	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2	O(C[6]C[5,6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6a]C[6])(CH3)	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6]2C)(SiC3)	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CHHO)	105.0930	0.000	2	105.0930	0.000	2	105.0930	0.000	2	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(CHHO)	113.4680	0.000	2	113.4680	0.000	2	109.9450	16.771	8	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CNO)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(CH3)	109.0330	4.457	4	108.7707	16.860	6	109.9450	16.771	8	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CNO)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CH3)	108.2460	4.886	2	108.7707	16.860	6	109.9450	16.771	8	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(SiC3)	110.1480	0.000	1	110.1480	0.000	1	109.1423	4.996	3	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(CCO)(OSi)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[6]HH)2(CCO)(OSi){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(SiC3)	108.6395	2.911	2	108.6395	8.475	2	109.1423	4.996	3	108.9005	12.281	17	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	113.5305	0.433	4	113.5470	0.187	8	113.5470	0.187	8	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	113.5635	0.499	4	113.5470	0.187	8	113.5470	0.187	8	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.5840	0.861	3	109.4303	0.589	4	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.9690	0.000	1	109.4303	0.589	4	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	111.6840	0.000	1	111.6840	0.000	1	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	111.9380	0.000	1	111.9380	0.000	1	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.4060	0.443	2	108.4060	0.196	2	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	106.8940	0.000	1	106.8940	0.000	1	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	107.2260	0.000	1	107.2260	0.000	1	109.2275	2.923	10	110.9623	6.143	20	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[3]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[3]C[6]2)(H)	106.7640	0.394	3	106.7640	0.156	3	106.7640	0.156	3	107.6194	7.684	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.6194	7.684	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F){3|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	107.6194	7.684	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.9150	0.525	2	108.9150	0.275	2	108.9150	0.275	2	107.6194	7.684	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	103.0240	0.000	1	103.0240	0.000	1	103.0240	0.000	1	107.6194	7.684	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5]C[6]2)(H)	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]C)(H)	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	101.0100	0.000	1	101.0100	0.000	1	101.0100	0.000	1	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	108.6400	0.492	2	108.6400	0.242	2	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	107.6490	0.000	1	107.6490	0.000	1	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2C)(H)	110.2000	0.000	1	110.2000	0.000	1	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2C)(H)	109.3593	0.433	3	109.3593	0.188	3	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	107.8530	0.000	1	108.9792	5.585	4	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	109.3547	2.745	3	108.9792	5.585	4	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2C)(H)	108.2760	0.000	1	108.2760	0.000	1	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	109.2660	0.000	1	109.2660	0.000	1	108.9743	1.823	13	108.5872	5.761	16	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5]C[6]2)(SiC3)	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.1105	2.161	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(SiC3)	111.1500	0.000	1	111.1500	0.000	1	111.1500	0.000	1	110.1105	2.161	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.1820	0.305	3	109.3090	0.127	4	109.2654	0.105	5	109.2654	0.105	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.6900	0.000	1	109.3090	0.127	4	109.2654	0.105	5	109.2654	0.105	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.0910	0.000	1	109.0910	0.000	1	109.2654	0.105	5	109.2654	0.105	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	2:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:3:4:3:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	O(C[6]C[6,6]C[6]C)(H)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	109.6300	0.000	1	109.6300	0.000	1	108.2550	2.776	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	106.4020	0.000	1	106.4020	0.000	1	108.2550	2.776	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.7330	0.000	1	108.7330	0.000	1	108.2550	2.776	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2C)(H)	109.9610	0.724	3	108.4032	6.294	6	108.4032	6.294	6	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	109.9740	0.000	1	108.4032	6.294	6	108.4032	6.294	6	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	105.2810	1.086	2	108.4032	6.294	6	108.4032	6.294	6	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	107.1282	2.261	4	107.1282	5.112	4	106.8318	4.273	5	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[6]2C)(H)	105.6460	0.000	1	105.6460	0.000	1	106.8318	4.273	5	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2{1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	108.6780	0.000	1	108.6780	0.000	1	107.9887	1.758	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.8280	0.000	1	108.8280	0.000	1	107.9887	1.758	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	106.4600	0.000	1	106.4600	0.000	1	107.9887	1.758	3	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	107.9821	3.832	19	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(CH3)	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	110.5595	0.080	4	110.5595	0.006	4	110.0549	0.402	7	109.4306	3.462	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(H)	109.3820	0.090	3	109.3820	0.008	3	110.0549	0.402	7	109.4306	3.462	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	109.4306	3.462	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2C)(H)	109.0427	2.864	3	109.0427	8.203	3	109.0427	8.203	3	109.0427	8.203	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.6070	0.000	1	107.3870	0.097	2	107.3870	0.097	2	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.1670	0.000	1	107.3870	0.097	2	107.3870	0.097	2	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.3610	0.000	1	106.3610	0.000	1	106.3610	0.000	1	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	O(C[6]C[6]2C)(H)	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]2C)(H)	108.0740	0.161	2	108.0740	0.026	2	108.0740	0.026	2	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(H)	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	O(C[6]C[6]3)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[6]3)(H)	110.9485	0.848	2	110.9485	0.719	2	110.9485	0.719	2	108.8671	2.938	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.1200	0.745	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	107.3120	0.000	1	107.3120	0.000	1	107.6655	0.250	2	108.1200	0.745	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	108.0190	0.000	1	108.0190	0.000	1	107.6655	0.250	2	108.1200	0.745	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	105.4980	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	104.5380	1.145	3	104.5380	1.310	3	105.6530	3.951	5	105.6530	3.951	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.7150	0.000	1	108.7150	0.000	1	105.6530	3.951	5	105.6530	3.951	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	105.9360	0.000	1	105.9360	0.000	1	105.6530	3.951	5	105.6530	3.951	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:2:4:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(CHHO)	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	O(C[6]C[3]C[6]2)(H)	106.3980	0.000	1	106.3980	0.000	1	106.3980	0.000	1	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	103.8110	0.000	1	103.8110	0.000	1	103.8110	0.000	1	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.1520	0.000	1	109.1520	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2C)(H)	110.2290	0.000	1	110.2290	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.0080	0.000	1	108.0080	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	O(C[6]C[6]2C)(H)	106.7185	2.904	2	106.7185	8.434	2	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	111.3440	0.000	1	111.3440	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	108.0070	3.302	2	108.0070	10.904	2	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	104.6053	0.308	3	105.0995	1.040	4	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	106.5820	0.000	1	105.0995	1.040	4	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2C)(H)	103.9420	0.000	1	103.9420	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	O(C[6]C[6]2C)(H)	109.0890	0.045	2	109.0890	0.002	2	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	108.5100	0.000	1	108.5100	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	110.8350	0.000	1	111.5707	0.820	3	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	112.5820	0.000	1	111.5707	0.820	3	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	111.2950	0.000	1	111.5707	0.820	3	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	108.8350	0.000	1	108.8350	0.000	1	108.1380	7.167	20	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	109.5160	0.000	1	109.5160	0.000	1	107.9890	1.943	3	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.7850	0.000	1	106.7850	0.000	1	107.9890	1.943	3	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.6660	0.000	1	107.6660	0.000	1	107.9890	1.943	3	107.7519	6.366	27	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.6240	0.000	1	108.9000	0.152	2	108.9888	0.240	6	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.1760	0.000	1	108.9000	0.152	2	108.9888	0.240	6	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	109.1670	0.000	1	109.1670	0.000	1	108.9888	0.240	6	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(H)	108.9680	0.000	1	108.9680	0.000	1	108.9888	0.240	6	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	108.9990	1.000	2	108.9990	1.000	2	108.9888	0.240	6	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	105.5540	0.000	1	105.5540	0.000	1	105.5540	0.000	1	108.4993	1.616	8	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:2:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(CHHO)	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:3:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	109.7600	1.037	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.7600	1.037	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	O(C[6]C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[5]C[6])(H)	105.0010	0.000	1	105.0010	0.000	1	105.0010	0.000	1	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	104.7990	0.000	1	104.7990	0.000	1	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	106.0320	0.000	1	106.0320	0.000	1	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.3980	0.000	1	107.3980	0.000	1	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.3080	0.000	1	107.3080	0.000	1	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.8790	0.000	1	106.0660	0.070	2	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	106.2530	0.000	1	106.0660	0.070	2	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.7965	2.446	2	108.7965	5.982	2	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	103.6230	0.000	1	103.6230	0.000	1	106.5428	3.726	9	106.3886	3.550	10	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	109.0343	3.406	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.4879	1.846	7	109.3241	2.757	10	109.3241	2.757	10	109.0343	3.406	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.6980	0.566	2	109.3241	2.757	10	109.3241	2.757	10	109.0343	3.406	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:3:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.4300	0.000	1	109.3241	2.757	10	109.3241	2.757	10	109.0343	3.406	11	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	O(C[6]C[3,5]C[6]2)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[3,5]C[6]2)(H)	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2	O(C[6]C[3,6]C[5]C[6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[5]C[6])(H)	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	O(C[6]C[3,6]C[6]C)(H)	105.5190	2.722	2	105.5190	7.411	2	107.6470	8.690	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]C)(H)	109.2530	0.000	1	109.2530	0.000	1	107.6470	8.690	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[3,6]C[6]C)(H)	110.2970	0.000	1	110.2970	0.000	1	107.6470	8.690	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	O(C[6]C[3]C[6]2)(H)	108.3040	1.075	2	108.3040	1.155	2	108.3040	1.155	2	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[3]C[6]2)(H)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[4]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[4]C[6]2)(H)	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	O(C[6]C[4]C[6]2)(H)	108.6450	2.897	4	108.6450	8.394	4	108.6450	8.394	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,5,6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[5,5,6]C[6]C)(H)	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]C)(H)	107.7570	0.293	3	107.7570	0.086	3	108.3967	1.694	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]C)(H)	110.3160	0.000	1	110.3160	0.000	1	108.3967	1.694	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6,6]C[6]C)(H)	108.4390	0.000	1	108.4390	0.000	1	108.2625	0.064	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6,6]C[6]C)(H)	108.2037	0.274	3	108.2037	0.075	3	108.2625	0.064	4	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	106.5865	0.019	2	106.5865	0.000	2	106.5865	0.000	2	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.6790	0.802	2	108.5483	0.373	3	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.2870	0.000	1	108.5483	0.373	3	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.5470	0.000	1	105.5470	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	111.0320	0.000	1	111.0320	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.6870	0.000	1	110.6870	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	105.8670	0.159	3	105.8670	0.025	3	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.3460	0.000	1	110.3460	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.8420	0.000	1	108.8420	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	105.5650	0.045	2	105.5650	0.002	2	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	105.9440	0.000	1	105.9440	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[5,6]C[6]C)(H)	109.9550	0.000	1	109.9550	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.3150	0.000	1	108.3150	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	109.6840	0.000	1	109.6840	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	104.6840	0.000	1	104.6840	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]C)(H)	106.1580	0.620	6	106.1580	0.384	6	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]C)(H)	109.8860	0.000	1	109.8860	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.4940	0.000	1	109.4940	0.000	1	107.5285	4.005	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	108.6810	0.000	1	108.6810	0.000	1	108.6070	3.894	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	107.7350	1.898	2	108.0280	4.365	4	108.6070	3.894	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	108.3210	3.025	2	108.0280	4.365	4	108.6070	3.894	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O(C[6]C[5]C[6]2)(H)	110.8490	0.000	1	110.8490	0.000	1	108.6070	3.894	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]C)(H)	109.0755	0.378	2	109.0755	0.143	2	109.0755	0.143	2	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	107.3805	2.251	2	107.3805	5.066	2	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.7080	0.000	1	106.7080	0.000	1	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]C)(H)	107.4000	0.000	1	108.3487	2.880	3	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.8230	2.100	2	108.3487	2.880	3	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	111.4690	0.000	1	111.1230	0.239	2	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]C[6]C)(H)	110.7770	0.000	1	111.1230	0.239	2	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.1740	0.000	1	107.1740	0.000	1	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.0630	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.5340	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	105.6210	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.3940	0.734	3	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	109.3750	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	109.1730	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	103.4160	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.2198	0.453	4	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.4230	0.000	1	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.8442	2.418	6	107.3866	3.840	20	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	110.6780	0.000	1	110.6780	0.000	1	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]C)(H)	110.1570	0.000	1	105.6277	9.246	4	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	104.1180	0.439	3	105.6277	9.246	4	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]C)(H)	107.9230	0.000	1	107.9230	0.000	1	107.5651	4.863	35	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2{1|O<2>,2|H<1>,8|C<4>}	O(C[6]C[5]C[6]2)(H)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	107.8760	0.255	2	107.8760	0.065	2	107.8760	0.065	2	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	107.5480	1.022	2	107.5480	1.045	2	110.4380	4.431	7	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	111.5535	0.144	2	111.5535	0.021	2	110.4380	4.431	7	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	112.2680	0.000	1	112.2680	0.000	1	110.4380	4.431	7	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	112.1630	0.000	1	112.1630	0.000	1	110.4380	4.431	7	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.4320	0.000	1	110.4320	0.000	1	110.4380	4.431	7	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	104.9875	1.698	6	104.9875	2.883	6	104.9875	2.883	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	111.0230	0.000	1	111.0230	0.000	1	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.6740	0.000	1	107.9997	6.086	10	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.2581	2.469	9	107.9997	6.086	10	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.4330	0.158	2	108.1043	8.393	3	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	111.4470	0.000	1	108.1043	8.393	3	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2{2|C<4>,2|N<3>,6|H<1>}	O(C[6]C[6]2C)(H)	107.2220	0.000	1	107.2220	0.000	1	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(OH)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)2(CH3)(OH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.5770	2.703	2	108.5770	7.304	2	108.2182	5.531	17	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	100.8430	0.000	1	100.8430	0.000	1	107.2237	31.533	3	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.4140	1.413	2	110.4140	1.996	2	107.2237	31.533	3	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	O(C[6]C[6]2C)(H)	107.8707	2.589	6	107.8707	6.703	6	107.8707	6.703	6	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.7035	2.661	2	106.7035	7.080	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	108.8560	0.000	1	108.8560	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	109.5470	0.000	1	109.5470	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	108.1030	0.000	1	108.1030	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	O(C[6]C[6]2C)(H)	105.3590	0.000	1	105.3590	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	108.5145	0.047	2	108.5145	0.002	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.4080	0.000	1	106.4080	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.2120	0.000	1	109.2120	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	111.0870	0.000	1	111.0870	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	104.9870	0.000	1	104.9870	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	O(C[6]C[6]2C)(H)	107.8000	0.000	1	107.8000	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	106.6510	0.000	1	106.6510	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.6955	0.023	2	107.5950	3.093	15	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2C)(H)	108.3400	0.000	1	107.5950	3.093	15	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	107.3495	1.897	12	107.5950	3.093	15	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	111.7090	0.000	1	111.7090	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.1780	1.613	6	107.1780	2.602	6	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	108.3257	1.724	9	108.3257	2.971	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.3870	2.689	3	110.3870	7.229	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.3695	0.288	2	106.6467	4.935	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(H)	109.2010	0.000	1	106.6467	4.935	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	O(C[6]C[6]2C)(H)	106.7870	0.000	1	106.7870	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	107.8110	0.000	1	107.8110	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.5080	0.561	2	105.5080	0.315	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	105.8850	0.665	2	106.7520	8.958	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	O(C[6]C[6]2C)(H)	106.9997	3.398	7	106.7520	8.958	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	112.1040	0.000	1	112.1040	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.4770	0.000	1	108.4770	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.7130	1.482	2	108.7130	2.197	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.5600	0.000	1	110.5600	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.9740	1.478	6	105.9740	2.183	6	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.6530	0.000	1	110.6530	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.0115	0.258	2	109.0115	0.067	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.2263	1.725	9	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.0700	0.000	1	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2C)(H)	106.2250	0.133	2	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.1770	0.000	1	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.1467	2.351	3	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.2280	0.000	1	107.9060	5.259	17	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	110.0040	0.000	1	110.0040	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2C)(H)	109.5835	0.800	2	109.8752	0.382	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	110.1670	0.406	2	109.8752	0.382	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2C)(H)	108.6077	2.516	3	108.6077	6.331	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.5290	1.242	2	110.5290	1.542	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	110.1790	0.000	1	110.1790	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6]2C)(H)	109.8220	0.000	1	109.8220	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	110.0020	0.000	1	110.0020	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	108.0210	0.000	1	108.0210	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2C)(H)	109.0500	0.000	1	109.4210	0.275	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.7920	0.000	1	109.4210	0.275	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2C)(H)	108.2379	2.369	11	108.2379	5.613	11	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	106.1330	0.180	2	106.1330	0.032	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	110.2070	0.000	1	110.2070	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2C)(H)	108.5570	2.649	5	108.5570	7.016	5	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	108.0530	3.011	2	107.7367	2.951	7	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.1527	1.753	3	107.7367	2.951	7	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	106.7965	0.064	2	107.7367	2.951	7	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(H)	106.2240	0.000	1	106.8010	0.666	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	107.3780	0.000	1	106.8010	0.666	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	110.4940	0.000	1	110.4940	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	110.6160	0.000	1	110.6160	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	110.3015	0.062	2	110.3015	0.004	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.5983	0.518	6	106.5701	3.491	8	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.4855	0.658	2	106.5701	3.491	8	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	O(C[6]C[6]2C)(H)	106.7580	0.000	1	106.7580	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	O(C[6]C[6]2C)(H)	105.2190	0.000	1	105.2190	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	O(C[6]C[6]2C)(H)	105.8330	0.000	1	105.8330	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	O(C[6]C[6]2C)(H)	104.8610	0.000	1	104.8610	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.5860	0.000	1	109.5860	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.0095	3.871	2	107.5900	8.331	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.1705	3.050	2	107.5900	8.331	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	108.0060	2.274	2	108.2740	3.500	6	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.4080	2.009	4	108.2740	3.500	6	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCHP)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHP)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.6430	2.418	2	107.6430	5.848	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.5926	1.933	40	107.5926	3.736	40	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCl3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	112.9710	0.000	1	112.9710	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCl3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	106.3690	0.000	1	106.3690	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CClHS)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.5962	3.353	4	108.5962	11.240	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CCo2C)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCo2C)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.3630	2.478	2	108.3630	6.139	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.6810	0.000	1	108.8493	3.963	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	109.4335	2.425	2	108.8493	3.963	3	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	112.3790	0.000	1	112.3790	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	112.2880	0.000	1	112.4750	0.319	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	112.5373	0.675	3	112.4750	0.319	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.5360	0.000	1	109.8110	3.494	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.5693	2.211	3	109.8110	3.494	4	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	108.1640	0.000	1	108.1640	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	105.9050	0.000	1	105.9050	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	111.0600	0.000	1	111.0600	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.5250	0.000	1	107.1932	4.593	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2C)(H)	107.4513	2.671	4	107.1932	4.593	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	107.3522	2.016	4	107.1932	4.593	9	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.4840	0.000	1	109.4840	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.0260	0.000	1	105.0260	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	109.2350	0.000	1	109.4725	0.113	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	109.7100	0.000	1	109.4725	0.113	2	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.9091	2.477	8	108.9091	6.138	8	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHO)(OH)	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.0570	0.000	1	106.0570	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	111.1590	0.000	1	111.1590	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.8667	2.168	6	107.8667	4.701	6	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.5920	0.057	2	109.5728	0.098	5	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	109.5600	0.439	3	109.5728	0.098	5	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	105.7520	0.000	1	105.7520	0.000	1	108.0850	4.919	266	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH){1|Br<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2{5|C<4>,6|H<1>}	O(C[6]C[6]3)(H)	105.2790	4.186	2	105.2790	17.523	2	105.2790	17.523	2	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH){4|C<4>,7|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(H)	110.0895	1.546	2	110.0895	2.391	2	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|F<1>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(H)	108.7062	0.869	4	108.7062	0.756	4	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(H)	108.0047	2.774	6	107.3533	4.906	12	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(H)	106.7020	1.441	6	107.3533	4.906	12	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]3)(H)	106.6863	3.379	4	106.6863	11.417	4	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	O(C[6]C[6]3)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6]3)(H)	108.0093	3.163	4	108.0093	10.008	4	107.7702	5.767	26	108.0017	5.138	431	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(OH)	103.3470	0.000	1	103.3470	0.000	1	103.3470	0.000	1	103.3470	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(NC[6]C)	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	O(C[6]C[6]2C)(NC[6]C)	113.6225	0.544	2	108.6975	32.599	4	108.6975	32.599	4	108.6975	32.599	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:3:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(NC[6]C)	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	O(C[6]C[6]2C)(NC[6]C)	103.7725	0.692	2	108.6975	32.599	4	108.6975	32.599	4	108.6975	32.599	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(SiC3)	111.4990	0.000	1	111.4990	0.000	1	111.6160	0.027	2	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(SiC3)	111.7330	0.000	1	111.7330	0.000	1	111.6160	0.027	2	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	111.6017	0.558	4	111.6017	0.312	4	111.4634	0.330	5	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6,6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(CH3)	110.9100	0.000	1	110.9100	0.000	1	111.4634	0.330	5	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	O(C[6]C[6]2C)(SiC3)	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	O(C[6]C[6]2C)(CH3)	112.3460	0.000	1	112.3460	0.000	1	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(CCCH)	108.7520	0.000	1	108.7520	0.000	1	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(CHHO)	107.7450	0.000	1	107.7450	0.000	1	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(CH3)	112.9977	0.257	3	112.9977	0.066	3	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2C)(CH3)	112.2230	0.000	1	112.2230	0.000	1	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(CH3)	107.5061	4.161	8	107.4872	15.058	12	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(CH3)	107.6180	5.173	2	107.4872	15.058	12	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(CH3)	107.2805	4.190	2	107.4872	15.058	12	108.9424	14.686	19	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Si-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	O(C[6]C[6]2C)(SiC3)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	O(C[6]C[6]2C)(SiC3)	113.3350	0.000	1	113.3350	0.000	1	113.3350	0.000	1	109.7536	11.584	28	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[3,6]C[6]C)(H)	104.9700	0.000	1	104.9700	0.000	1	104.9700	0.000	1	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	104.7977	0.455	3	104.7977	0.207	3	104.7977	0.207	3	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.0300	0.000	1	108.0300	0.000	1	108.1295	4.535	4	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	109.4780	0.000	1	109.4780	0.000	1	108.1295	4.535	4	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.1600	0.000	1	105.1600	0.000	1	108.1295	4.535	4	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.8500	0.000	1	109.8500	0.000	1	108.1295	4.535	4	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]C)(H)	107.8070	0.000	1	107.8070	0.000	1	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	104.3027	1.412	3	104.3027	1.993	3	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	111.0130	0.000	1	111.0130	0.000	1	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	108.6815	0.484	2	108.3823	0.386	3	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.7840	0.000	1	108.3823	0.386	3	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.5360	0.000	1	106.9410	3.454	3	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	106.6435	2.525	2	106.9410	3.454	3	107.0635	5.595	11	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.0465	1.042	2	109.0465	1.085	2	109.0465	1.085	2	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.8170	0.663	2	106.8170	0.440	2	107.5567	1.993	6	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	105.5510	0.000	1	107.5153	2.927	3	107.5567	1.993	6	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	108.4975	0.255	2	107.5153	2.927	3	107.5567	1.993	6	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6]2C)(H)	109.1600	0.000	1	109.1600	0.000	1	107.5567	1.993	6	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	100.6110	0.000	1	100.6110	0.000	1	100.6110	0.000	1	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	O(C[6]C[6]2C)(H)	105.2300	0.000	1	105.2300	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.4070	0.000	1	108.4070	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	103.9090	0.100	4	103.9090	0.010	4	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	O(C[6]C[6]2C)(H)	108.3950	0.000	1	108.3950	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	106.0650	0.027	2	106.0650	0.001	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	110.3100	0.000	1	110.0145	0.175	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	109.7190	0.000	1	110.0145	0.175	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	108.7330	0.000	1	108.7330	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.3685	0.035	2	110.3685	0.001	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(H)	111.3470	0.000	1	111.3470	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.2750	0.000	1	110.2750	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.7815	0.183	2	107.7815	0.034	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.6410	0.000	1	106.6410	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.7472	1.581	5	108.7472	2.500	5	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.6115	0.268	2	108.6115	0.072	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.7517	2.065	3	106.7517	4.265	3	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.6600	0.655	2	107.6600	0.429	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	105.8015	1.585	2	105.8015	2.511	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	104.4740	0.000	1	104.4740	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	111.5700	0.000	1	111.5700	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	104.6720	0.486	2	104.6720	0.237	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	106.5920	0.000	1	106.5920	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)2(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	109.5300	0.000	1	109.5300	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	110.2860	0.000	1	110.2860	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)2(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	108.0730	0.000	1	108.0730	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	108.3658	2.841	4	108.3658	8.073	4	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.3450	0.707	2	108.3450	0.500	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	103.1490	0.000	1	103.1490	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	108.2505	0.780	2	108.2505	0.608	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2C)(H)	106.8370	0.000	1	106.8370	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HO)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2C)(H)	105.8640	1.054	2	105.8640	1.110	2	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2C)(H)	102.1990	0.000	1	102.1990	0.000	1	107.4388	5.578	54	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2C)(H)	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	107.2626	5.549	84	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(OH)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(CH3)	103.5313	1.039	3	103.5313	1.081	3	103.5313	1.081	3	103.4993	0.724	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(CH3)	103.4030	0.000	1	103.4030	0.000	1	103.4030	0.000	1	103.4993	0.724	4	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	102.9020	0.182	2	102.9020	0.033	2	102.9020	0.033	2	102.9020	0.033	2	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.7900	0.000	1	107.7900	0.000	1	109.0065	2.960	2	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5,6]C[6]C)(H)	110.2230	0.000	1	110.2230	0.000	1	109.0065	2.960	2	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	110.3670	0.000	1	108.1207	4.168	3	108.2313	2.828	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	107.6170	0.000	1	108.1207	4.168	3	108.2313	2.828	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	106.3780	0.000	1	108.1207	4.168	3	108.2313	2.828	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	108.5630	0.000	1	108.5630	0.000	1	108.2313	2.828	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5]C[6]2)(H)	111.6260	1.252	2	109.6653	12.959	4	109.7572	9.761	5	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	104.3930	0.000	1	109.6653	12.959	4	109.7572	9.761	5	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	111.0160	0.000	1	109.6653	12.959	4	109.7572	9.761	5	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	110.1250	0.000	1	110.1250	0.000	1	109.7572	9.761	5	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	108.8065	0.231	4	108.8065	0.054	4	108.8065	0.054	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	108.7280	0.000	1	108.7280	0.000	1	108.3320	0.682	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	107.7440	0.768	2	107.7440	0.590	2	108.3320	0.682	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	109.1120	0.000	1	109.1120	0.000	1	108.3320	0.682	4	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	109.4520	0.000	1	109.4520	0.000	1	110.7477	1.298	3	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]2C)(H)	111.3955	0.281	2	111.3955	0.079	2	110.7477	1.298	3	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	106.2690	0.000	1	106.2690	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	105.7990	0.275	3	105.7990	0.076	3	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	106.5750	0.000	1	109.5027	6.756	3	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	110.9665	0.810	2	109.5027	6.756	3	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	106.5060	0.000	1	106.5060	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	111.0435	0.987	4	111.0435	0.974	4	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	107.1880	1.653	2	107.1880	2.733	2	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	O(C[6]C[6]2C)(H)	111.5310	0.030	2	111.5310	0.001	2	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.0680	0.000	1	107.0680	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.2300	0.000	1	108.2300	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	105.2870	0.000	1	105.2870	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	111.3950	0.000	1	111.3950	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.5610	0.000	1	110.5610	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2C)(H)	109.5230	0.000	1	109.5230	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	106.4660	0.000	1	106.4660	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2C)(H)	110.2270	0.000	1	110.2270	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){3|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	110.3730	0.476	3	110.6845	0.539	4	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	111.6190	0.000	1	110.6845	0.539	4	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H){2|H<1>,3|C<3>}	O(C[6]C[6]2C)(H)	106.1490	0.000	1	106.1490	0.000	1	108.8943	5.566	29	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.9795	0.455	2	110.9795	0.207	2	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	110.7270	0.000	1	110.7270	0.000	1	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	103.6450	0.000	1	103.6450	0.000	1	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	109.0880	0.000	1	109.0880	0.000	1	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	110.7220	0.000	1	110.7220	0.000	1	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]2C)(H)	106.4560	0.000	1	106.4560	0.000	1	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	109.2939	2.191	11	109.2939	4.802	11	109.1572	5.746	18	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	O(C[6]C[6]3)(H)	109.7690	0.178	3	109.7690	0.032	3	109.7690	0.032	3	109.0514	4.650	75	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H)	O(C[6]C[5,6]C[6]C)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H){2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(CHHO)	102.4200	0.000	1	102.4200	0.000	1	102.4200	0.000	1	102.4200	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	O(C[6]C[3,5]C[6]2)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[3,5]C[6]2)(H)	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]C)(H)	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[3]C[6]2)(H)	104.9900	0.771	2	104.9900	0.594	2	104.9900	0.594	2	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	107.8645	3.516	2	107.8645	12.365	2	107.8645	12.365	2	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	108.0950	3.345	2	108.0950	11.186	2	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	107.1010	0.000	1	108.0815	3.227	6	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	105.0970	0.000	1	108.0815	3.227	6	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	109.0425	1.126	2	108.0815	3.227	6	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	108.3740	0.000	1	108.0815	3.227	6	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	109.8320	0.000	1	108.0815	3.227	6	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	108.8860	3.383	2	108.8860	11.443	2	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[5]C[6]2)(H)	104.1300	0.000	1	104.1300	0.000	1	107.8710	5.519	11	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	105.9240	2.767	3	105.9240	7.657	3	107.0204	3.953	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	106.9150	2.990	2	107.5615	3.630	4	107.0204	3.953	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	108.2080	0.530	2	107.5615	3.630	4	107.0204	3.953	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]C)(H)	107.6550	0.000	1	107.6550	0.000	1	107.0204	3.953	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]C)(H)	107.5110	0.000	1	107.5110	0.000	1	107.0204	3.953	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	107.8680	0.000	1	108.5355	0.891	2	107.8407	2.475	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	109.2030	0.000	1	108.5355	0.891	2	107.8407	2.475	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	109.7675	0.186	2	109.7675	0.035	2	107.8407	2.475	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	104.8160	0.000	1	104.8160	0.000	1	107.8407	2.475	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[5]C[6]2)(H)	107.2860	0.187	4	107.2860	0.035	4	107.8407	2.475	9	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	104.6010	0.000	1	104.6010	0.000	1	107.5945	17.922	2	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	110.5880	0.000	1	110.5880	0.000	1	107.5945	17.922	2	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	105.6438	2.275	6	105.6438	5.177	6	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	107.8880	0.000	1	107.8880	0.000	1	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	106.1913	1.711	3	106.1913	2.929	3	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	107.9090	0.000	1	106.4077	8.383	3	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	103.0700	0.000	1	106.4077	8.383	3	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	O(C[6]C[6]2C)(H)	108.2440	0.000	1	106.4077	8.383	3	106.1191	4.438	13	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	108.6020	1.762	2	108.6020	3.105	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	107.2680	0.000	1	107.2680	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.9830	0.000	1	106.9830	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.1500	0.000	1	106.1500	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	110.2710	1.323	6	110.2710	1.751	6	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	108.5980	0.000	1	108.5980	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.7220	0.000	1	108.7220	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	107.9830	0.000	1	107.9830	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.5400	0.000	1	108.5400	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.4181	1.425	8	107.4181	2.032	8	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	107.0400	0.000	1	107.7385	0.976	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	O(C[6]C[6]2C)(H)	108.4370	0.000	1	107.7385	0.976	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.0035	0.153	2	107.0035	0.024	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	105.1040	0.000	1	105.1040	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	106.5760	0.709	2	106.5760	0.502	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	107.4725	0.288	2	107.4725	0.083	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.9340	0.000	1	109.9340	0.000	1	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)2(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	104.2155	0.045	2	104.2155	0.002	2	107.8134	3.368	35	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	109.3195	1.231	2	109.3195	1.516	2	107.1954	8.364	8	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	102.7055	0.421	2	102.7055	0.177	2	107.1954	8.364	8	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	108.3783	0.800	4	108.3783	0.639	4	107.1954	8.364	8	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:F-1:	C[6]-4:H-1:	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F)	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	O(C[6]C[6]3)(H)	106.6230	0.834	2	106.6230	0.696	2	106.6230	0.696	2	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(H){3|C<4>,8|H<1>}	O(C[6]C[6]3)(H)	107.9607	0.643	3	107.9607	0.413	3	107.9607	0.413	3	107.4232	4.359	99	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	O(C[6]C[6]2C)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2C)(CH)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[5]C[6]2)(SiC3)	105.5810	0.000	1	105.5810	0.000	1	105.5810	0.000	1	102.9093	5.975	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(CCCH)	100.7850	0.000	1	100.7850	0.000	1	101.5735	1.243	2	102.9093	5.975	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[6]C[6]2C)(CHHO)	102.3620	0.000	1	102.3620	0.000	1	101.5735	1.243	2	102.9093	5.975	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	104.2540	0.000	1	104.2540	0.000	1	105.4333	1.127	3	106.6268	3.462	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	106.3120	0.000	1	106.3120	0.000	1	105.4333	1.127	3	106.6268	3.462	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2C)(H)	105.7340	0.000	1	105.7340	0.000	1	105.4333	1.127	3	106.6268	3.462	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH){4|C<4>,7|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6]3)(H)	105.7940	0.000	1	105.7940	0.000	1	105.7940	0.000	1	106.6268	3.462	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH)	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	O(C[6]C[6]3)(H)	108.8335	0.590	2	108.8335	0.349	2	108.8335	0.349	2	106.6268	3.462	6	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:2:	4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	O(C[6]C[6]2C)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(CH)	102.0020	0.000	1	102.0020	0.000	1	102.0020	0.000	1	102.0020	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	109.5143	5.446	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO)	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	110.7845	1.101	2	110.7845	1.212	2	110.7845	1.212	2	109.5143	5.446	3	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	108.7946	8.633	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]C)(H)	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	108.7946	8.633	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]2C)(H)	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	108.7946	8.633	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	108.7946	8.633	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH)	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	O(C[6]C[6]3)(H)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH){1|Br<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[6]3)(H)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	108.7946	8.633	5	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[5]C[6]2)(SiC3)	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6]	C[6]	O	6:4:2:1:	4:4:1:1:	4:4:	B[5x3,5x5,21x6]-6:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H)	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H){1|C<4>,5|B<6>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	109.2924	5.765	11669	109.3373	6.314	14658
466	466	893	0:SP3_SP3_SP3	C[6x6]	C[6x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6x6]-4:C[6x6]-4:C[6x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6x6]-4:C[6x6]-4:	C[6x6]-4:H-1:	C[6x6](C[6x6]C[6,6]2C[6x6])3(OH)	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O)	O(C[6x6]C[6x6]3)(H)	C[6x6](C[6x6]C[6,6]2C[6x6])3(OH){15|H<1>,6|C<4>}	C[6x6](C[6,6]C[3x6]HH)2(C[6x6]C[6x6]2H)(C[6x6]C[6x6]2O){10|C<4>,2|H<1>}	O(C[6x6]C[6x6]3)(H)	109.2450	1.964	2	109.2450	3.859	2	109.2450	3.859	2	109.2450	3.859	2	109.2450	3.859	2	109.3373	6.314	14658